| 1 | M | 40.7 | Very low | 56.8 | Low | 244 Ų | 244 | 185.8 Ų | 185.8 | 100% | 1.202 | 87% | 0.872 | S | S | * | * | | | | 0 | 110.5 | 0 | -70.7 | -173.1 | -74.2 | 0 | 0 | 106.5 | | |
| 2 | E | 41.7 | Very low | 58.2 | Low | 197 Ų | 197 | 180.6 Ų | 180.6 | 92% | 0.921 | 87% | 0.866 | S | S | * | * | | | trans | -118 | 123 | -175 | -164.9 | 160.6 | -159.1 | 0 | 0 | 106.7 | | |
| 3 | T | 45.8 | Very low | 59.1 | Low | 126 Ų | 126 | 180.2 Ų | 180.2 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | | | trans | -102.8 | 111.5 | -167.9 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | Q5 | T3-Q5 PolarHBondContact O-N 3.05Š|
| 4 | D | 52.8 | Low | 59.9 | Low | 164 Ų | 164 | 180.4 Ų | 180.4 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | | | trans | -54.8 | 124.3 | 176.5 | -79.1 | -60.6 | 0 | 0 | 0 | 112 | E6 | D4-E6 PolarHBondContact O-N 3.27Š|
| 5 | Q | 54.3 | Low | 60.9 | Low | 164 Ų | 164 | 177.1 Ų | 177.1 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | | | trans | -76.1 | 94.2 | 175 | -73.1 | -169.1 | -2.3 | 0 | 0 | 110.4 | T3 R7 | T3-Q5 PolarHBondContact O-N 3.05Å; Q5-R7 PolarHBondContact O-N 3.48Å |
| 6 | E | 59.8 | Low | 61.1 | Low | 176 Ų | 176 | 172.3 Ų | 172.3 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | | | trans | -58.1 | 98.9 | 175.5 | -168.9 | -175.6 | -141.5 | 0 | 0 | 111.6 | D4 K8 | D4-E6 PolarHBondContact O-N 3.27Å; E6-K8 PolarHBondContact O-N 3.31Å |
| 7 | R | 65.2 | Low | 62 | Low | 223 Ų | 223 | 172.8 Ų | 172.8 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | | | trans | -76.3 | 97.6 | -177.5 | -70.5 | -167.5 | 175.1 | 103.7 | 0.8 | 110.8 | Q5 | Q5-R7 PolarHBondContact O-N 3.48Š|
| 8 | K | 64 | Low | 62.4 | Low | 186 Ų | 186 | 169.7 Ų | 169.7 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | | | trans | -45.7 | 131.6 | 179.7 | -64.3 | 179.4 | -180 | 176.8 | 0 | 112.5 | E6 K10 | E6-K8 PolarHBondContact O-N 3.31Å; K8-K10 PolarHBondContact O-N 3.38Å |
| 9 | P | 69.9 | Low | 63 | Low | 123 Ų | 123 | 167.7 Ų | 167.7 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137 | -176.6 | 24.8 | -33.9 | 0 | 0 | 0 | 111.9 | R11 | P9-R11 PolarHBondContact O-N 3.43Š|
| 10 | K | 67.7 | Low | 63.4 | Low | 208 Ų | 208 | 163.5 Ų | 163.5 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.4 | -177.4 | -141.8 | 170.6 | -171.7 | 174.6 | 0 | 109.4 | K8 | K8-K10 PolarHBondContact O-N 3.38Š|
| 11 | R | 62.4 | Low | 63.8 | Low | 233 Ų | 233 | 164.5 Ų | 164.5 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.1 | 179.8 | -74.2 | -178.2 | 173.3 | 174.4 | -2.5 | 110.3 | P9 H13 | P9-R11 PolarHBondContact O-N 3.43Å; R11-H13 PolarHBondContact O-N 3.04Å |
| 12 | P | 74.7 | Confident | 65 | Low | 123 Ų | 123 | 158.4 Ų | 158.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.3 | 179.7 | 26.2 | -34.1 | 0 | 0 | 0 | 110.3 | Y14 | P12-Y14 PolarHBondContact O-N 3.24Å; P12-Y14 VanDerWaalsContact O-N 3.11Å |
| 13 | H | 69.6 | Low | 65.7 | Low | 175 Ų | 175 | 155 Ų | 155 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -69.5 | 110.3 | -179.2 | -162.2 | -47.7 | 0 | 0 | 0 | 109.8 | R11 I15 | R11-H13 PolarHBondContact O-N 3.04Å; H13-I15 PolarHBondContact O-N 3.19Å |
| 14 | Y | 70.1 | Confident | 66.4 | Low | 184 Ų | 184 | 158.7 Ų | 158.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -68.7 | 128 | 173.3 | -171.8 | -100.1 | 0 | 0 | 0 | 109.3 | P12 P16 | P12-Y14 PolarHBondContact O-N 3.24Å; P12-Y14 VanDerWaalsContact O-N 3.11Å; Y14-P16 HydrophobicContact CE1-CB 4.18Å |
| 15 | I | 74.4 | Confident | 66.5 | Low | 130 Ų | 130 | 157.4 Ų | 157.4 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | | | trans | -106.2 | 113 | 170.7 | -60.2 | 176.7 | 0 | 0 | 0 | 106.5 | H13 R17 | H13-I15 PolarHBondContact O-N 3.19Å; I15-R17 PolarHBondContact O-N 2.89Å |
| 16 | P | 64.7 | Low | 66.4 | Low | 101 Ų | 101 | 155.9 Ų | 155.9 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.2 | 178.8 | 26.4 | -33.3 | 0 | 0 | 0 | 110 | Y14 | Y14-P16 HydrophobicContact CE1-CB 4.18Š|
| 17 | R | 75.8 | Confident | 66.1 | Low | 181 Ų | 181 | 150.3 Ų | 150.3 | 68% | 0.683 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 142.5 | -175.2 | -64.3 | -172.1 | 178.8 | -158 | 0.2 | 111.3 | I15 | I15-R17 PolarHBondContact O-N 2.89Š|
| 18 | P | 70 | Confident | 65.6 | Low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.3 | 171.5 | -23.4 | 33.8 | 0 | 0 | 0 | 111.7 | | |
| 19 | P | 73.9 | Confident | 65 | Low | 131 Ų | 131 | 147.4 Ų | 147.4 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 159.2 | 177.2 | 29.2 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 20 | G | 71.3 | Confident | 64.1 | Low | 84 Ų | 84 | 142.5 Ų | 142.5 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.7 | -2.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 21 | K | 70.2 | Confident | 63.4 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | | | trans | -101.3 | 113.7 | 177.4 | -151.7 | 165.7 | -167.4 | 170.2 | 0 | 111.5 | F23 | K21-F23 PolarHBondContact O-N 2.71Š|
| 22 | P | 67.5 | Low | 62.8 | Low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | | | trans | -64.5 | 133.1 | -179.3 | 25.5 | -33.5 | 0 | 0 | 0 | 110.9 | K24 | P22-K24 PolarHBondContact O-N 2.78Å; P22-K24 VanDerWaalsContact O-N 3.13Å |
| 23 | F | 56.7 | Low | 61.6 | Low | 124 Ų | 124 | 132 Ų | 132 | 54% | 0.544 | 67% | 0.671 | S | S | . | * | | | trans | -74 | 104.2 | -170.5 | -63.5 | -95.7 | 0 | 0 | 0 | 112.1 | K21 Y25 | K21-F23 PolarHBondContact O-N 2.71Å; F23-Y25 VanDerWaalsContact C-N 3.27Å; F23-Y25 HydrophobicContact CB-CD1 4.43Å; F23-Y25 HydrophobicContact CB-CD2 3.52Å; F23-Y25 HydrophobicContact CB-CE1 4.23Å; F23-Y25 HydrophobicContact CB-CE2 3.28Å; F23-Y25 HydrophobicContact CB-CG 4.1Å; F23-Y25 AromaticContact CD1-CE1 3.77Å; F23-Y25 HydrophobicContact CD1-CE1 3.77Å; F23-Y25 HydrophobicContact CD1-CE2 4Å; F23-Y25 AromaticContact CD1-CZ 3.43Å; F23-Y25 VanDerWaalsContact CD1-CZ 3.43Å; F23-Y25 WeakPolarHBondContact CD1-OH 3.39Å; F23-Y25 HydrophobicContact CD2-CE2 4.23Å; F23-Y25 HydrophobicContact CE1-CE1 4.45Å; F23-Y25 WeakPolarHBondContact CE1-OH 3.43Å; F23-Y25 HydrophobicContact CG-CD2 4.34Å; F23-Y25 HydrophobicContact CG-CE1 4.24Å; F23-Y25 AromaticContact CG-CE2 3.62Å; F23-Y25 HydrophobicContact CG-CE2 3.62Å; F23-Y25 AromaticContact CG-CZ 3.56Å; F23-Y25 PolarHBondContact O-N 3.26Å |
| 24 | K | 59.5 | Low | 60.9 | Low | 204 Ų | 204 | 125 Ų | 125 | 89% | 0.887 | 64% | 0.641 | S | S | * | * | | | trans | -74.2 | 86.3 | 153.4 | -75.1 | -168.2 | 174.7 | -173.9 | 0 | 108.7 | P22 Q26 | P22-K24 PolarHBondContact O-N 2.78Å; P22-K24 VanDerWaalsContact O-N 3.13Å; K24-Q26 PolarHBondContact O-N 2.83Å |
| 25 | Y | 54.8 | Low | 60.1 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 54% | 0.541 | 65% | 0.647 | S | S | . | * | | | trans | -70.8 | 68.5 | 170.7 | -72.5 | -66.6 | 0 | 0 | 0 | 111 | F23 C27 L48 | F23-Y25 VanDerWaalsContact C-N 3.27Å; F23-Y25 HydrophobicContact CB-CD1 4.43Å; F23-Y25 HydrophobicContact CB-CD2 3.52Å; F23-Y25 HydrophobicContact CB-CE1 4.23Å; F23-Y25 HydrophobicContact CB-CE2 3.28Å; F23-Y25 HydrophobicContact CB-CG 4.1Å; F23-Y25 AromaticContact CD1-CE1 3.77Å; F23-Y25 HydrophobicContact CD1-CE1 3.77Å; F23-Y25 HydrophobicContact CD1-CE2 4Å; F23-Y25 AromaticContact CD1-CZ 3.43Å; F23-Y25 VanDerWaalsContact CD1-CZ 3.43Å; F23-Y25 WeakPolarHBondContact CD1-OH 3.39Å; F23-Y25 HydrophobicContact CD2-CE2 4.23Å; F23-Y25 HydrophobicContact CE1-CE1 4.45Å; F23-Y25 WeakPolarHBondContact CE1-OH 3.43Å; F23-Y25 HydrophobicContact CG-CD2 4.34Å; F23-Y25 HydrophobicContact CG-CE1 4.24Å; F23-Y25 AromaticContact CG-CE2 3.62Å; F23-Y25 HydrophobicContact CG-CE2 3.62Å; F23-Y25 AromaticContact CG-CZ 3.56Å; F23-Y25 PolarHBondContact O-N 3.26Å; Y25-C27 PolarHBondContact O-N 3.3Å; Y25-L48 HydrophobicContact CD2-CD2 4.45Å |
| 26 | Q | 53 | Low | 59.3 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | | | trans | -73.2 | 106.4 | 164.7 | -172 | 157.6 | -0.3 | 0 | 0 | 107.5 | K24 F28 | K24-Q26 PolarHBondContact O-N 2.83Å; Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 HydrophobicContact CB-CD2 4.38Å; Q26-F28 HydrophobicContact CB-CE2 3.85Å; Q26-F28 HydrophobicContact CB-CZ 4.14Å; Q26-F28 HydrophobicContact CG-CD2 4.48Å; Q26-F28 HydrophobicContact CG-CE1 4.22Å; Q26-F28 HydrophobicContact CG-CE2 4.04Å; Q26-F28 HydrophobicContact CG-CZ 3.89Å; Q26-F28 WeakPolarHBondContact O-CD2 3.41Å; Q26-F28 PolarHBondContact O-N 3.38Å |
| 27 | C | 52.9 | Low | 59.2 | Low | 58 Ų | 58 | 127.8 Ų | 127.8 | 39% | 0.392 | 65% | 0.651 | S | S | . | * | | | trans | -76.3 | 83.6 | -174.5 | -163.2 | 0 | 0 | 0 | 0 | 110.9 | Y25 Q29 C30 H43 | Y25-C27 PolarHBondContact O-N 3.3Å; C27-Q29 PolarHBondContact O-N 3.34Å; C27-C30 HydrophobicContact CB-CB 4.22Å; C27-C30 PolarHBondContact O-N 2.99Å; C27-C30 VanDerWaalsContact O-N 3.08Å; C27-H43 PolarHBondContact SG-NE2 3.16Å |
| 28 | F | 54.3 | Low | 58.6 | Low | 172 Ų | 172 | 122.7 Ų | 122.7 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -9 | -176.3 | -73.6 | -77.9 | 0 | 0 | 0 | 115.1 | Q26 | Q26-F28 VanDerWaalsContact C-N 3.33Å; Q26-F28 HydrophobicContact CB-CD2 4.38Å; Q26-F28 HydrophobicContact CB-CE2 3.85Å; Q26-F28 HydrophobicContact CB-CZ 4.14Å; Q26-F28 HydrophobicContact CG-CD2 4.48Å; Q26-F28 HydrophobicContact CG-CE1 4.22Å; Q26-F28 HydrophobicContact CG-CE2 4.04Å; Q26-F28 HydrophobicContact CG-CZ 3.89Å; Q26-F28 WeakPolarHBondContact O-CD2 3.41Å; Q26-F28 PolarHBondContact O-N 3.38Å |
| 29 | Q | 51.8 | Low | 58.3 | Low | 177 Ų | 177 | 119.8 Ų | 119.8 | 83% | 0.827 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 5.8 | 176.4 | -77.3 | 171.5 | -59.7 | 0 | 0 | 114.2 | C27 T33 | C27-Q29 PolarHBondContact O-N 3.34Å; Q29-T33 PolarHBondContact O-OG1 3.3Å |
| 30 | C | 51.9 | Low | 58.2 | Low | 19 Ų | 19 | 117 Ų | 117 | 13% | 0.128 | 60% | 0.597 | C | S | . | * | | | trans | -113.4 | 36 | 179.4 | -146.7 | 0 | 0 | 0 | 0 | 116.3 | C27 C34 H39 | C27-C30 HydrophobicContact CB-CB 4.22Å; C27-C30 PolarHBondContact O-N 2.99Å; C27-C30 VanDerWaalsContact O-N 3.08Å; C30-C34 WeakPolarHBondContact SG-CB 3.49Å; C30-H39 PolarHBondContact SG-CE1 3.27Å; C30-H39 PolarHBondContact SG-NE2 2.93Å; C30-H39 VanDerWaalsContact SG-NE2 3.4Å |
| 31 | P | 53 | Low | 57.9 | Low | 96 Ų | 96 | 118.7 Ų | 118.7 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -74.2 | -23.8 | 176.4 | 30.9 | -34 | 0 | 0 | 0 | 113.9 | | |
| 32 | F | 49.7 | Very low | 57.7 | Low | 189 Ų | 189 | 113.4 Ų | 113.4 | 83% | 0.829 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -130.5 | -24.6 | -176.5 | -65.8 | -71.1 | 0 | 0 | 0 | 114.5 | | |
| 33 | T | 49.3 | Very low | 57.9 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 37% | 0.368 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -81.6 | -10.9 | -175.9 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | Q29 N35 E36 | Q29-T33 PolarHBondContact O-OG1 3.3Å; T33-N35 PolarHBondContact O-N 3.02Å; T33-E36 PolarHBondContact O-N 2.91Å; T33-E36 VanDerWaalsContact O-N 3.16Å |
| 34 | C | 53.7 | Low | 58.4 | Low | 28 Ų | 28 | 108 Ų | 108 | 19% | 0.189 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -67.5 | -5.2 | 179.1 | -146.7 | 0 | 0 | 0 | 0 | 113.9 | C30 | C30-C34 WeakPolarHBondContact SG-CB 3.49Š|
| 35 | N | 53.3 | Low | 59 | Low | 157 Ų | 157 | 104.1 Ų | 104.1 | 84% | 0.84 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -84.7 | -12.5 | 176.2 | -146.6 | 28.2 | 0 | 0 | 0 | 112.7 | T33 | T33-N35 PolarHBondContact O-N 3.02Š|
| 36 | E | 58.6 | Low | 60 | Low | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -80 | 128.2 | 171.9 | -67.7 | -172.4 | 160.1 | 0 | 0 | 111 | T33 S38 H39 L40 | T33-E36 PolarHBondContact O-N 2.91Å; T33-E36 VanDerWaalsContact O-N 3.16Å; E36-S38 PolarHBondContact O-N 3.03Å; E36-S38 VanDerWaalsContact O-N 3.11Å; E36-H39 PolarHBondContact O-N 3.37Å; E36-L40 PolarHBondContact O-N 3.41Å; E36-L40 VanDerWaalsContact O-N 3.08Å |
| 37 | K | 63 | Low | 60.3 | Low | 190 Ų | 190 | 103 Ų | 103 | 83% | 0.826 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.7 | -33.5 | -171.8 | -168.3 | 176.3 | 179.9 | -178.6 | 0 | 113.5 | F41 | K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 3.34Å; K37-F41 VanDerWaalsContact O-N 3.15Å |
| 38 | S | 62.8 | Low | 61 | Low | 75 Ų | 75 | 103.4 Ų | 103.4 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 176 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | E36 N42 | E36-S38 PolarHBondContact O-N 3.03Å; E36-S38 VanDerWaalsContact O-N 3.11Å; S38-N42 PolarHBondContact O-N 3.1Å; S38-N42 PolarHBondContact O-ND2 3.06Å |
| 39 | H | 63.2 | Low | 61.3 | Low | 56 Ų | 56 | 96.8 Ų | 96.8 | 26% | 0.259 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.8 | -41.9 | -179.2 | -160.4 | -26 | 0 | 0 | 0 | 111.2 | C30 E36 N42 H43 | C30-H39 PolarHBondContact SG-CE1 3.27Å; C30-H39 PolarHBondContact SG-NE2 2.93Å; C30-H39 VanDerWaalsContact SG-NE2 3.4Å; E36-H39 PolarHBondContact O-N 3.37Å; H39-N42 PolarHBondContact O-N 3.42Å; H39-H43 AromaticContact CE1-CD2 3.57Å; H39-H43 AromaticContact CE1-CE1 3.66Å; H39-H43 AromaticContact CE1-NE2 3.35Å; H39-H43 PolarHBondContact CE1-NE2 3.39Å; H39-H43 VanDerWaalsContact CE1-NE2 3.35Å; H39-H43 AromaticContact ND1-CD2 3.7Å; H39-H43 AromaticContact ND1-CG 3.89Å; H39-H43 AromaticContact ND1-NE2 3.95Å; H39-H43 PolarHBondContact O-N 3.12Å |
| 40 | L | 72.2 | Confident | 61.4 | Low | 72 Ų | 72 | 96.6 Ų | 96.6 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 177 | -175.9 | 60.1 | 0 | 0 | 0 | 111.8 | E36 N42 H43 M44 | E36-L40 PolarHBondContact O-N 3.41Å; E36-L40 VanDerWaalsContact O-N 3.08Å; L40-N42 PolarHBondContact O-N 3.16Å; L40-H43 PolarHBondContact O-N 3.42Å; L40-M44 VanDerWaalsContact O-CB 3.27Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 PolarHBondContact O-N 3.16Å |
| 41 | F | 64.1 | Low | 61.5 | Low | 120 Ų | 120 | 102 Ų | 102 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 178 | -176.9 | -104.6 | 0 | 0 | 0 | 111.8 | K37 K45 | K37-F41 WeakPolarHBondContact O-CB 3.49Å; K37-F41 PolarHBondContact O-N 3.34Å; K37-F41 VanDerWaalsContact O-N 3.15Å; F41-K45 HydrophobicContact CE1-CD 4.2Å; F41-K45 WeakPolarHBondContact O-CB 3.33Å; F41-K45 PolarHBondContact O-N 3.04Å |
| 42 | N | 66.9 | Low | 61.5 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.7 | -76 | -64.1 | 0 | 0 | 0 | 112.6 | S38 H39 L40 M44 K45 Y46 | S38-N42 PolarHBondContact O-N 3.1Å; S38-N42 PolarHBondContact O-ND2 3.06Å; H39-N42 PolarHBondContact O-N 3.42Å; L40-N42 PolarHBondContact O-N 3.16Å; N42-M44 VanDerWaalsContact C-N 3.35Å; N42-M44 PolarHBondContact O-N 3.08Å; N42-K45 PolarHBondContact O-N 2.97Å; N42-Y46 WeakPolarHBondContact O-CD2 3.07Å; N42-Y46 PolarHBondContact O-N 3.11Å |
| 43 | H | 71.7 | Confident | 61.7 | Low | 21 Ų | 21 | 93.4 Ų | 93.4 | 10% | 0.097 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 177.4 | -91.2 | -3.9 | 0 | 0 | 0 | 113.6 | C27 H39 L40 N47 L48 | C27-H43 PolarHBondContact SG-NE2 3.16Å; H39-H43 AromaticContact CE1-CD2 3.57Å; H39-H43 AromaticContact CE1-CE1 3.66Å; H39-H43 AromaticContact CE1-NE2 3.35Å; H39-H43 PolarHBondContact CE1-NE2 3.39Å; H39-H43 VanDerWaalsContact CE1-NE2 3.35Å; H39-H43 AromaticContact ND1-CD2 3.7Å; H39-H43 AromaticContact ND1-CG 3.89Å; H39-H43 AromaticContact ND1-NE2 3.95Å; H39-H43 PolarHBondContact O-N 3.12Å; L40-H43 PolarHBondContact O-N 3.42Å; H43-N47 PolarHBondContact O-N 3.44Å; H43-L48 PolarHBondContact O-N 2.99Å |
| 44 | M | 67.6 | Low | 61.9 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.3 | -46.1 | 175.3 | -169.4 | 166.6 | 65.8 | 0 | 0 | 111.5 | L40 N42 Y46 N47 | L40-M44 VanDerWaalsContact O-CB 3.27Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 PolarHBondContact O-N 3.16Å; N42-M44 VanDerWaalsContact C-N 3.35Å; N42-M44 PolarHBondContact O-N 3.08Å; M44-Y46 PolarHBondContact O-N 3.09Å; M44-N47 PolarHBondContact O-N 2.97Å |
| 45 | K | 71.9 | Confident | 61.8 | Low | 121 Ų | 121 | 99.8 Ų | 99.8 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.6 | -37.2 | 177.3 | -179.4 | -179.8 | 179.7 | -172.8 | 0 | 113.1 | F41 N42 | F41-K45 HydrophobicContact CE1-CD 4.2Å; F41-K45 WeakPolarHBondContact O-CB 3.33Å; F41-K45 PolarHBondContact O-N 3.04Å; N42-K45 PolarHBondContact O-N 2.97Å |
| 46 | Y | 74.3 | Confident | 61.6 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 8.6 | -179.8 | -61.6 | -64.8 | 0 | 0 | 0 | 114 | N42 M44 L48 | N42-Y46 WeakPolarHBondContact O-CD2 3.07Å; N42-Y46 PolarHBondContact O-N 3.11Å; M44-Y46 PolarHBondContact O-N 3.09Å; Y46-L48 PolarHBondContact O-N 3.45Å |
| 47 | N | 60.6 | Low | 61.3 | Low | 113 Ų | 113 | 95.9 Ų | 95.9 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 28 | -177.8 | -69.7 | -81.3 | 0 | 0 | 0 | 114.6 | H43 M44 C49 | H43-N47 PolarHBondContact O-N 3.44Å; M44-N47 PolarHBondContact O-N 2.97Å; N47-C49 VanDerWaalsContact C-N 3.25Å; N47-C49 PolarHBondContact O-N 3.05Å |
| 48 | L | 67.3 | Low | 60.8 | Low | 65 Ų | 65 | 94.8 Ų | 94.8 | 34% | 0.34 | 50% | 0.497 | S | S | . | . | | | trans | -73 | -15.7 | -172.9 | -72.5 | 167.9 | 0 | 0 | 0 | 113.5 | Y25 H43 Y46 | Y25-L48 HydrophobicContact CD2-CD2 4.45Å; H43-L48 PolarHBondContact O-N 2.99Å; Y46-L48 PolarHBondContact O-N 3.45Å |
| 49 | C | 60.2 | Low | 59.9 | Low | 33 Ų | 33 | 100 Ų | 100 | 22% | 0.223 | 51% | 0.51 | C | S | . | . | | | trans | -124.4 | 90.4 | 175.9 | -167.9 | 0 | 0 | 0 | 0 | 111.2 | N47 N51 S52 | N47-C49 VanDerWaalsContact C-N 3.25Å; N47-C49 PolarHBondContact O-N 3.05Å; C49-N51 PolarHBondContact O-N 3.4Å; C49-S52 PolarHBondContact SG-OG 3.49Å; C49-S52 VanDerWaalsContact SG-OG 3.35Å |
| 50 | Q | 54 | Low | 58.9 | Low | 173 Ų | 173 | 104.8 Ų | 104.8 | 81% | 0.808 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.1 | 174.1 | -69.5 | -177.7 | -27.6 | 0 | 0 | 113.2 | | |
| 51 | N | 54 | Low | 57.1 | Low | 133 Ų | 133 | 104.7 Ų | 104.7 | 71% | 0.711 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -24.2 | -169.9 | -66.3 | -8.4 | 0 | 0 | 0 | 114.6 | C49 | C49-N51 PolarHBondContact O-N 3.4Š|
| 52 | S | 54 | Low | 56.2 | Low | 37 Ų | 37 | 108.1 Ų | 108.1 | 26% | 0.259 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -28.3 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 114 | C49 S54 L55 | C49-S52 PolarHBondContact SG-OG 3.49Å; C49-S52 VanDerWaalsContact SG-OG 3.35Å; S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 PolarHBondContact O-N 3.15Å; S52-L55 PolarHBondContact O-N 3.4Å |
| 53 | I | 53.8 | Low | 54.7 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 34% | 0.344 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | -174.1 | -51.5 | 175.5 | 0 | 0 | 0 | 111.3 | L55 V56 S57 | I53-L55 PolarHBondContact O-N 2.91Å; I53-L55 VanDerWaalsContact O-N 3.16Å; I53-V56 PolarHBondContact O-N 3.08Å; I53-S57 PolarHBondContact O-OG 3.01Å |
| 54 | S | 53.2 | Low | 53.2 | Low | 79 Ų | 79 | 113.5 Ų | 113.5 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.2 | -24.7 | -179.1 | -168 | 0 | 0 | 0 | 0 | 114.3 | S52 | S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 PolarHBondContact O-N 3.15Å |
| 55 | L | 51.7 | Low | 51.8 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81 | -24.1 | -176.2 | -106.8 | 163.5 | 0 | 0 | 0 | 113.9 | S52 I53 | S52-L55 PolarHBondContact O-N 3.4Å; I53-L55 PolarHBondContact O-N 2.91Å; I53-L55 VanDerWaalsContact O-N 3.16Å |
| 56 | V | 49.1 | Very low | 50.2 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -91.3 | -41.8 | -178.6 | -172.9 | 0 | 0 | 0 | 0 | 111 | I53 Q58 K59 | I53-V56 PolarHBondContact O-N 3.08Å; V56-Q58 PolarHBondContact O-N 3.46Å; V56-Q58 VanDerWaalsContact O-N 3.15Å; V56-K59 PolarHBondContact O-N 3.5Å; V56-K59 VanDerWaalsContact O-N 3.08Å |
| 57 | S | 51.1 | Low | 48.4 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.6 | -23.7 | -175.6 | -58 | 0 | 0 | 0 | 0 | 114.6 | I53 | I53-S57 PolarHBondContact O-OG 3.01Å |
| 58 | Q | 52.8 | Low | 47.3 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.9 | 176.7 | -68.1 | -168.6 | -4 | 0 | 0 | 114.2 | V56 | V56-Q58 PolarHBondContact O-N 3.46Å; V56-Q58 VanDerWaalsContact O-N 3.15Å |
| 59 | K | 43.8 | Very low | 45.6 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -15.2 | -172.1 | -166.7 | 171.4 | 177.6 | -176 | 0 | 114.3 | V56 | V56-K59 PolarHBondContact O-N 3.5Å; V56-K59 VanDerWaalsContact O-N 3.08Å |
| 60 | N | 42.8 | Very low | 44.3 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 12.4 | -168.5 | -127.9 | 68.7 | 0 | 0 | 0 | 115.5 | | |
| 61 | G | 35.4 | Very low | 43.2 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -94.2 | 95.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 62 | Q | 45 | Very low | 42.3 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | | | trans | -73 | 127 | 168.8 | -79.4 | -80.2 | 3.9 | 0 | 0 | 110.4 | | |
| 63 | A | 33.7 | Very low | 41.1 | Very low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | trans | -140 | 144.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 64 | P | 40.4 | Very low | 39.8 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -83.4 | 156.6 | -149.1 | -16.6 | 33.4 | 0 | 0 | 0 | 115.6 | | |
| 65 | R | 38.1 | Very low | 38.5 | Very low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 133.3 | 166.9 | -69.4 | 176.1 | 171.3 | 174.2 | -3.8 | 110.7 | | |
| 66 | Q | 38.8 | Very low | 37.4 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -115.1 | 141.6 | 159.4 | -80.3 | -77.3 | -6.3 | 0 | 0 | 108 | | |
| 67 | L | 36.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -124.4 | 139.9 | -172.5 | -85 | 167.9 | 0 | 0 | 0 | 111.8 | | |
| 68 | K | 38.3 | Very low | 35.9 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | 49.2 | 117.2 | 163.3 | -73.3 | -175.6 | 172.9 | -179 | 0 | 118.7 | | |
| 69 | A | 30.6 | Very low | 34.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | | -148.8 | 150.2 | 127.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 70 | V | 32.6 | Very low | 33.9 | Very low | 144 Ų | 144 | 144 Ų | 144 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | | | trans | -120.6 | 130.8 | 174.8 | 169 | 0 | 0 | 0 | 0 | 108.6 | | |
| 71 | A | 31 | Very low | 33.1 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -148.4 | 138.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 72 | K | 36.1 | Very low | 32.8 | Very low | 204 Ų | 204 | 143.1 Ų | 143.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -117.3 | 122.6 | 172.1 | -73.5 | -178.1 | 177.7 | 178.4 | 0 | 109.5 | | |
| 73 | A | 28.8 | Very low | 31.9 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -153.7 | 121.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 74 | V | 26.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | cis | 89.8 | 116.8 | 44.1 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 75 | S | 24.6 | Very low | 31.3 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 65 | 161.8 | 167.3 | 80.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 76 | V | 29.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | cis | -131.1 | 169 | 3.1 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 77 | K | 33 | Very low | 31.2 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | -120 | 139.2 | -179.7 | -171.2 | -177.2 | -171.5 | 174.4 | 0 | 111.3 | | |
| 78 | P | 34.9 | Very low | 30.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | | -140.7 | 161.6 | 117.3 | 37.3 | -24.8 | 0 | 0 | 0 | 111.7 | | |
| 79 | K | 32 | Very low | 30.5 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | | | cis | 85.3 | 84.7 | 7.8 | -154.6 | -166.4 | -179.9 | -164 | 0 | 118.5 | | |
| 80 | D | 23.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | | -159.3 | 145.5 | 129.4 | -93.3 | -32.7 | 0 | 0 | 0 | 108.2 | | |
| 81 | C | 26.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | | | | 73.8 | 133.5 | 58.2 | -49.1 | 0 | 0 | 0 | 0 | 111 | | |
| 82 | T | 29.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | cis | -170.1 | 144.7 | 39.1 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 83 | N | 25.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | 56.4 | 163 | 162.1 | -61.5 | -16.4 | 0 | 0 | 0 | 119.2 | | |
| 84 | V | 31.2 | Very low | 30 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | | | cis | -142 | 146.5 | 12.8 | -136.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 85 | I | 31.4 | Very low | 30.4 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | | | cis | 78.4 | 135.7 | 30.1 | -61 | 170.3 | 0 | 0 | 0 | 113.4 | | |
| 86 | P | 46.7 | Very low | 30.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | cis | -96.8 | -130.8 | -8.9 | 21.7 | 1.2 | 0 | 0 | 0 | 109.7 | | |
| 87 | A | 26.9 | Very low | 30.5 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | cis | -165 | 168.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 88 | V | 28.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | cis | -143.7 | 141.1 | -6.2 | -163.4 | 0 | 0 | 0 | 0 | 103.3 | | |
| 89 | Q | 33.1 | Very low | 30.1 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | | | cis | 87.3 | 140.4 | 37.2 | -70.4 | -163 | 7.3 | 0 | 0 | 117.3 | | |
| 90 | S | 25.2 | Very low | 30 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | -120.8 | 176.3 | -167.9 | 54 | 0 | 0 | 0 | 0 | 112.1 | | |
| 91 | L | 30.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | | | trans | -72.6 | 161.5 | -174.1 | -65.8 | 162.7 | 0 | 0 | 0 | 114.5 | | |
| 92 | S | 32.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -71.7 | 174.5 | 173.9 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 93 | S | 31.9 | Very low | 30.8 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | cis | -154.6 | -176.2 | 13.9 | -147.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 94 | E | 27.3 | Very low | 31.2 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | | | cis | -169.1 | 170.6 | 4.5 | -150.8 | 162.6 | 96.6 | 0 | 0 | 111.3 | | |
| 95 | K | 33.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | 62.7 | 129.8 | 165.2 | -51.3 | -174.8 | -172.4 | 179.4 | 0 | 116.9 | | |
| 96 | Q | 30 | Very low | 31.7 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | | | cis | 75.4 | 120.6 | 29.2 | -160.5 | -177.9 | 12.9 | 0 | 0 | 113.7 | | |
| 97 | G | 26.8 | Very low | 31.2 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | cis | -154.5 | -141.1 | -4.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 98 | V | 29.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | cis | -169.7 | 158.2 | -6.8 | 79.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 99 | E | 30.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 73% | 0.725 | S | S | * | * | | | trans | 59.5 | 172.2 | 168.2 | -68.2 | -169.3 | 144.4 | 0 | 0 | 117.5 | | |
| 100 | E | 29.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | | | cis | -158 | 165.8 | -35.8 | -114.7 | -155.6 | 126.4 | 0 | 0 | 109.9 | | |
| 101 | K | 31.4 | Very low | 33.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | | | trans | 68.7 | 141.6 | 149.8 | -79.5 | 167.2 | 179.3 | 132 | 0 | 118.4 | | |
| 102 | K | 34.3 | Very low | 34.1 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | | | | 73.3 | 141.6 | 77.3 | -139 | -144.1 | -178 | -119.9 | 0 | 110.3 | | |
| 103 | D | 30.2 | Very low | 34 | Very low | 100 Ų | 100 | 140 Ų | 140 | 54% | 0.535 | 71% | 0.708 | S | S | . | * | | | cis | -158 | -170.1 | 5.9 | -151.2 | -18 | 0 | 0 | 0 | 110 | | |
| 104 | E | 33.3 | Very low | 34.2 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | | | trans | 68.1 | 158.9 | 145.8 | -82.6 | 172 | 99.8 | 0 | 0 | 118.8 | | |
| 105 | S | 33.3 | Very low | 34.3 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | | | cis | -160.6 | 149.7 | -10.9 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 106 | R | 39.3 | Very low | 34.3 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 75% | 0.751 | 72% | 0.719 | S | S | * | * | | | trans | 49.2 | 116.7 | 132.2 | -59.6 | -171.4 | 74.4 | 176.5 | 0.1 | 120.3 | | |
| 107 | D | 35.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | | | | 91.1 | 168.5 | 97.3 | -57.7 | -8 | 0 | 0 | 0 | 110 | | |
| 108 | D | 38.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | | | cis | -158.7 | 173.6 | 7.9 | -145.9 | -18.9 | 0 | 0 | 0 | 111.6 | | |
| 109 | I | 44.3 | Very low | 35.6 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | | | trans | 60.2 | 127.4 | 157 | -66.6 | 155 | 0 | 0 | 0 | 118.3 | | |
| 110 | E | 42.5 | Very low | 35.5 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | | | cis | 104.9 | 156.6 | 19.2 | -65.8 | -149.9 | 148.5 | 0 | 0 | 117.5 | | |
| 111 | E | 43.6 | Very low | 35.4 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | | | trans | 89.7 | 109.3 | 170 | -53.9 | -154 | 143.5 | 0 | 0 | 120 | | |
| 112 | L | 37.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | | 86.4 | 153.9 | 87.2 | -67.3 | -178.6 | 0 | 0 | 0 | 112.9 | | |
| 113 | D | 30.6 | Very low | 35.4 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | cis | -151.5 | 168.6 | 19.2 | -166.1 | 27 | 0 | 0 | 0 | 115.2 | | |
| 114 | V | 37.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | 2.4 | 143.4 | 164.8 | 162 | 0 | 0 | 0 | 0 | 123.5 | | |
| 115 | G | 29.4 | Very low | 35.7 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | -172.8 | 122.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 116 | C | 33.9 | Very low | 35.5 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | | | trans | -125.4 | 174.9 | -171.9 | -78.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 117 | D | 29.8 | Very low | 35 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | | | trans | 88.3 | 145.8 | 160.7 | -79.5 | -60.5 | 0 | 0 | 0 | 122.2 | | |
| 118 | S | 37 | Very low | 34.8 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -114.7 | 161.4 | 166.4 | -48.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 119 | P | 46 | Very low | 34.6 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -156.7 | -174.9 | 77.2 | 36.9 | -14.1 | 0 | 0 | 0 | 115 | | |
| 120 | V | 28.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | | 169.8 | 119.4 | 112.7 | 159.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 121 | S | 27.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -84.1 | 153.8 | 165.1 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 122 | N | 34.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -150.4 | 128.1 | 145.4 | -98.9 | -42.2 | 0 | 0 | 0 | 111.4 | | |
| 123 | A | 31.5 | Very low | 33.2 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -134.3 | 139.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 124 | N | 34.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -155.7 | 132.3 | 164.2 | -84.6 | -50.2 | 0 | 0 | 0 | 105.6 | | |
| 125 | L | 34.5 | Very low | 33 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | | 63.7 | 131.9 | 63.2 | -63.4 | 176.1 | 0 | 0 | 0 | 112.3 | | |
| 126 | S | 29.7 | Very low | 33.4 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | cis | -171.1 | 178.3 | -8.2 | 62 | 0 | 0 | 0 | 0 | 111.8 | | |
| 127 | V | 29.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | 57 | 114.2 | 152.2 | 175 | 0 | 0 | 0 | 0 | 119.3 | | |
| 128 | A | 30.5 | Very low | 33.8 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | | | | -174.4 | 132.6 | 117.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 129 | K | 34.7 | Very low | 33.7 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | | | trans | -130.2 | 145.8 | 155.7 | -87 | -172.5 | 176.5 | -176.9 | 0 | 104.9 | | |
| 130 | P | 47.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | | -155.8 | 147 | 81.4 | 39.2 | -18.7 | 0 | 0 | 0 | 118.8 | | |
| 131 | N | 30.1 | Very low | 33.7 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | | 49.3 | 152 | 125.5 | -51.5 | -4.6 | 0 | 0 | 0 | 124.7 | | |
| 132 | T | 29.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 73.6 | 149 | 141.7 | 40.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 133 | L | 30.2 | Very low | 34.4 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | cis | -169.3 | 130.2 | -6.4 | 169.5 | 152.2 | 0 | 0 | 0 | 113.4 | | |
| 134 | T | 32.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | 54 | 158.4 | 144.6 | -47.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 135 | D | 32.3 | Very low | 35 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | | | trans | 82.3 | 143.3 | 157.6 | -100.2 | 15.7 | 0 | 0 | 0 | 119.4 | | |
| 136 | R | 36.9 | Very low | 35 | Very low | 171 Ų | 171 | 134 Ų | 134 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | cis | -160.3 | 167.4 | -2.1 | -151 | 177.5 | 164.4 | 85.9 | 15 | 113.3 | | |
| 137 | E | 33.8 | Very low | 35.7 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -7.3 | 160.2 | 158 | -65.7 | 161.2 | 176.3 | 0 | 0 | 120.8 | | |
| 138 | L | 38.7 | Very low | 36.6 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | cis | -150.8 | -160.7 | 9.6 | -147.2 | 67.9 | 0 | 0 | 0 | 108 | | |
| 139 | A | 36.1 | Very low | 37.3 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | | | cis | -156.1 | 163.2 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 140 | E | 36 | Very low | 38.1 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | | 54 | 137.2 | 87.2 | -54.2 | -172.3 | 143.4 | 0 | 0 | 117.2 | | |
| 141 | S | 37.3 | Very low | 37.7 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -167.2 | 154.2 | -11 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 142 | D | 36.5 | Very low | 38 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | | | trans | 60.3 | 167.4 | 148.9 | -87.2 | -54.4 | 0 | 0 | 0 | 126.2 | | |
| 143 | E | 40.5 | Very low | 38.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -106.8 | 139.2 | -163.6 | 178.6 | -160.5 | 136.7 | 0 | 0 | 114.6 | | |
| 144 | A | 37.8 | Very low | 39.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -173.7 | 121.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 145 | K | 39.4 | Very low | 40.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | 28 | 138.3 | 136.2 | -69.1 | 173.5 | -179.8 | 166.3 | 0 | 124.7 | | |
| 146 | A | 34.9 | Very low | 40.4 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | 100.7 | 156.8 | 133.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 147 | L | 46 | Very low | 40.8 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -95 | 166.7 | -170.1 | -58 | 167.4 | 0 | 0 | 0 | 112.7 | | |
| 148 | P | 47.6 | Very low | 41.6 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | | -146.8 | 174.3 | 96.5 | 37.6 | -21.1 | 0 | 0 | 0 | 116.2 | | |
| 149 | R | 44.7 | Very low | 41.7 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -103.7 | 153.7 | 172.4 | -73.6 | 179.3 | 172.1 | 170.8 | -3.3 | 112.1 | | |
| 150 | P | 50.8 | Low | 41.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | | -131.8 | 143.4 | 119.7 | 31.3 | -18.6 | 0 | 0 | 0 | 111.3 | | |
| 151 | S | 40.3 | Very low | 41.8 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | | 80.3 | 104 | 53.3 | -166.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 152 | A | 36.7 | Very low | 41.5 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | -161.1 | 131.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 153 | F | 45.3 | Very low | 41.8 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | 64.2 | 121.9 | 163.9 | -56.9 | -69.8 | 0 | 0 | 0 | 122.7 | | |
| 154 | S | 39.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -136.4 | -174.7 | 146 | 72.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 155 | P | 53.7 | Low | 41.8 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | cis | -131.8 | -164.8 | -0.5 | 43 | -25.8 | 0 | 0 | 0 | 112.8 | | |
| 156 | V | 34.5 | Very low | 41.8 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 175.6 | 145.2 | 126.8 | 149 | 0 | 0 | 0 | 0 | 110.2 | | |
| 157 | T | 45.6 | Very low | 41.9 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | trans | -111.1 | 177.1 | 174.4 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 158 | P | 52 | Low | 41.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | | | | -135.9 | 151.9 | 123.7 | 36.9 | -27.5 | 0 | 0 | 0 | 114.2 | | |
| 159 | N | 40.6 | Very low | 40.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -101.4 | 155.5 | 178.2 | -56.1 | -29.3 | 0 | 0 | 0 | 111.8 | | |
| 160 | R | 38.8 | Very low | 40.4 | Very low | 233 Ų | 233 | 127.7 Ų | 127.7 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | 175.9 | 156 | 144.8 | -97.6 | -146.5 | 154.5 | 173.8 | -5.8 | 111.5 | | |
| 161 | D | 34.1 | Very low | 39.9 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | cis | -166.3 | 133.6 | -40.6 | -138.1 | -24.1 | 0 | 0 | 0 | 110.9 | | |
| 162 | G | 32.7 | Very low | 39.4 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 53.9 | 179.6 | 166 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 163 | A | 41.4 | Very low | 39.2 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | -171.4 | 150.8 | -38.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 164 | E | 43.9 | Very low | 38.6 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | | | trans | 62.2 | 164.3 | 163 | -28.1 | -162.5 | 148.9 | 0 | 0 | 118.1 | | |
| 165 | A | 34.7 | Very low | 38.3 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | | | cis | -149.5 | 134.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 166 | L | 38.8 | Very low | 37.4 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | | 72.2 | 127.9 | 100.9 | -65.3 | 179.6 | 0 | 0 | 0 | 120.3 | | |
| 167 | V | 38.7 | Very low | 37.8 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | | | trans | 71.2 | 142.8 | 141.6 | 167.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 168 | A | 37.4 | Very low | 37.1 | Very low | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | cis | -172.7 | -169.6 | -24.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 169 | T | 34.1 | Very low | 36.2 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | 106.2 | 128.9 | 146.2 | -43.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 170 | V | 35.5 | Very low | 35.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | | | cis | 173.4 | 128.5 | -18 | 126.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 171 | Q | 39.4 | Very low | 35.2 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | 58.5 | 170.7 | 154.1 | -59.2 | 177.4 | 39.7 | 0 | 0 | 119.8 | | |
| 172 | R | 29.5 | Very low | 34.8 | Very low | 197 Ų | 197 | 125.1 Ų | 125.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | cis | -139.1 | 139.9 | 8.7 | -111 | -155.4 | 173.5 | -164.7 | -2.6 | 110.2 | | |
| 173 | R | 32.1 | Very low | 35.5 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | | | | 64.8 | 116.1 | 90 | -76.5 | -171.9 | 152.5 | -127 | -4.4 | 115.9 | | |
| 174 | E | 34.3 | Very low | 35.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 49% | 0.486 | 73% | 0.733 | S | S | . | * | | | | 80.9 | 141.1 | 104.9 | -68.5 | 162.4 | -174.6 | 0 | 0 | 113.7 | | |
| 175 | D | 31.8 | Very low | 35.2 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | cis | -155.4 | 172.4 | 3.1 | -110.7 | -30.4 | 0 | 0 | 0 | 112.3 | | |
| 176 | S | 34.9 | Very low | 35.5 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | trans | -83.3 | 172.5 | 171 | 77.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 177 | P | 43.8 | Very low | 36.3 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | -153.5 | 178.4 | 38.5 | 44.4 | -21.7 | 0 | 0 | 0 | 120 | | |
| 178 | T | 30.1 | Very low | 36.1 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | trans | 31.5 | 114.4 | 149.4 | 57.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 179 | S | 32.8 | Very low | 36 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | | 79.9 | 154.9 | 123.1 | -149.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 180 | N | 26.5 | Very low | 36.3 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | 80.6 | 103.5 | 162.3 | -74.4 | -22.3 | 0 | 0 | 0 | 123.2 | | |
| 181 | I | 32.2 | Very low | 36.5 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | | 73.7 | 99 | 118.2 | -64.7 | 168.9 | 0 | 0 | 0 | 120.1 | | |
| 182 | S | 27 | Very low | 36.5 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | trans | 83 | 157.8 | 133 | 78.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 183 | H | 46.2 | Very low | 37.4 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 72% | 0.717 | S | S | * | * | | | trans | -86.7 | 165.7 | -170.1 | -39 | -87.8 | 0 | 0 | 0 | 113.7 | | |
| 184 | P | 50.7 | Low | 37.6 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | | | | -135.4 | 178.8 | 104.7 | 39.1 | -27.5 | 0 | 0 | 0 | 111.7 | | |
| 185 | S | 28 | Very low | 37.7 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | | | cis | -155.4 | 175.8 | 27.8 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 186 | S | 42.3 | Very low | 37.8 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | -145.8 | 160.7 | 176.7 | 163.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 187 | P | 54.5 | Low | 37.9 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | -120 | 118.8 | 147.3 | 3.6 | 18.4 | 0 | 0 | 0 | 111.2 | | |
| 188 | W | 36.1 | Very low | 37.8 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | | 89.9 | 145.3 | 66.4 | -74 | 31.8 | 0 | 0 | 0 | 112.7 | | |
| 189 | A | 33.7 | Very low | 38.5 | Very low | 74 Ų | 74 | 136 Ų | 136 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | | | cis | -154.7 | 147.4 | 15.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 190 | R | 40.7 | Very low | 39 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 64.1 | 148.3 | 131.8 | -68.6 | 177.7 | -164.7 | -151.9 | 2.9 | 120.2 | | |
| 191 | T | 39.3 | Very low | 39.9 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | cis | -162.3 | 144.7 | 7.5 | 2.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 192 | L | 39.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | trans | 66.5 | 163.3 | 150.3 | -61.7 | 167 | 0 | 0 | 0 | 119.8 | | |
| 193 | P | 50 | Low | 41.6 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 58% | 0.584 | 76% | 0.762 | S | S | * | * | | | cis | -138.7 | 170.7 | -48.2 | 38 | -21.4 | 0 | 0 | 0 | 116.4 | | |
| 194 | F | 35.6 | Very low | 41.7 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 87.3 | 131.2 | 163.9 | -59.3 | -65.5 | 0 | 0 | 0 | 121.9 | | |
| 195 | K | 37.2 | Very low | 41.4 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | 26.7 | 141.2 | 137.4 | -56 | 176.2 | 179.2 | 177.9 | 0 | 118.8 | | |
| 196 | S | 33.5 | Very low | 42.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | cis | -169.7 | 155.1 | 40.1 | 47.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 197 | F | 37.7 | Very low | 43 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | | | trans | 39.5 | 137.1 | 149.7 | -68.4 | -72 | 0 | 0 | 0 | 124.1 | | |
| 198 | T | 41.6 | Very low | 42.4 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -61.4 | 167.3 | 160.6 | 14 | 0 | 0 | 0 | 0 | 113.1 | | |
| 199 | P | 44.4 | Very low | 43.2 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | cis | -132.3 | 151.6 | 35.1 | 39.9 | -23.2 | 0 | 0 | 0 | 118.4 | M201 | P199-M201 PolarHBondContact O-N 3.35Š|
| 200 | L | 43.7 | Very low | 43.9 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | -81.8 | 92.8 | 156.7 | -89.5 | 160.3 | 0 | 0 | 0 | 109.2 | | |
| 201 | M | 45.5 | Very low | 44 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -90.4 | 127.2 | 156.2 | -71.7 | -91.1 | 68.9 | 0 | 0 | 107.9 | P199 P203 | P199-M201 PolarHBondContact O-N 3.35Å; M201-P203 WeakPolarHBondContact O-CD 3.37Å |
| 202 | V | 47.3 | Very low | 44.1 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -74.3 | 123.1 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | E204 | V202-E204 PolarHBondContact O-N 2.99Å; V202-E204 VanDerWaalsContact O-N 3.08Å |
| 203 | P | 46.2 | Very low | 44.4 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -72.5 | 100.9 | 170.3 | -14.7 | 31.2 | 0 | 0 | 0 | 109.4 | M201 | M201-P203 WeakPolarHBondContact O-CD 3.37Š|
| 204 | E | 49.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -74.4 | 134.9 | 168.8 | -157.4 | 173.6 | 167 | 0 | 0 | 109 | V202 | V202-E204 PolarHBondContact O-N 2.99Å; V202-E204 VanDerWaalsContact O-N 3.08Å |
| 205 | Y | 44.8 | Very low | 44.9 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 71.2 | 127.7 | -169.6 | -69.9 | -96.7 | 0 | 0 | 0 | 117.9 | | |
| 206 | P | 55.6 | Low | 45.4 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -80.4 | 150 | 164.3 | 34.2 | -33.5 | 0 | 0 | 0 | 111.5 | Y208 | P206-Y208 PolarHBondContact O-N 3.44Š|
| 207 | P | 46.5 | Very low | 45.8 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -70 | 125.3 | 178.9 | 28.2 | -34.2 | 0 | 0 | 0 | 112.1 | L209 | P207-L209 PolarHBondContact O-N 3.15Š|
| 208 | Y | 43.5 | Very low | 46.3 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -81.4 | 81.6 | -176.4 | -166.6 | -108.7 | 0 | 0 | 0 | 111.9 | P206 M210 | P206-Y208 PolarHBondContact O-N 3.44Å; Y208-M210 HydrophobicContact CD1-CE 4.23Å; Y208-M210 HydrophobicContact CD1-CG 3.92Å; Y208-M210 HydrophobicContact CD1-SD 4.33Å; Y208-M210 HydrophobicContact CE1-CE 3.38Å; Y208-M210 HydrophobicContact CE1-CG 3.82Å; Y208-M210 HydrophobicContact CE1-SD 3.6Å; Y208-M210 PolarHBondContact O-N 3.42Å; Y208-M210 VanDerWaalsContact O-N 3.15Å |
| 209 | L | 52.6 | Low | 46.4 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -69.4 | 106.1 | 174.1 | -67.2 | 178.8 | 0 | 0 | 0 | 110.8 | P207 | P207-L209 PolarHBondContact O-N 3.15Š|
| 210 | M | 47 | Very low | 46.5 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 61% | 0.606 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 127.8 | 172.3 | -77.1 | -88.3 | 76.4 | 0 | 0 | 111.2 | Y208 E212 | Y208-M210 HydrophobicContact CD1-CE 4.23Å; Y208-M210 HydrophobicContact CD1-CG 3.92Å; Y208-M210 HydrophobicContact CD1-SD 4.33Å; Y208-M210 HydrophobicContact CE1-CE 3.38Å; Y208-M210 HydrophobicContact CE1-CG 3.82Å; Y208-M210 HydrophobicContact CE1-SD 3.6Å; Y208-M210 PolarHBondContact O-N 3.42Å; Y208-M210 VanDerWaalsContact O-N 3.15Å; M210-E212 PolarHBondContact O-N 3.2Å |
| 211 | P | 44.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.5 | 163.1 | -13.3 | 29.3 | 0 | 0 | 0 | 109.6 | R213 | P211-R213 PolarHBondContact O-N 3.47Š|
| 212 | E | 41.5 | Very low | 46.1 | Very low | 199 Ų | 199 | 154.8 Ų | 154.8 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.9 | 169 | -74.9 | -170.6 | 109.6 | 0 | 0 | 110 | M210 | M210-E212 PolarHBondContact O-N 3.2Š|
| 213 | R | 45.3 | Very low | 45.4 | Very low | 223 Ų | 223 | 160 Ų | 160 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 118 | 171.3 | -79.5 | -177.1 | 168.6 | 163.9 | -2.1 | 109.4 | P211 L215 | P211-R213 PolarHBondContact O-N 3.47Å; R213-L215 PolarHBondContact O-N 3.05Å |
| 214 | P | 48.8 | Very low | 45.2 | Very low | 120 Ų | 120 | 162.1 Ų | 162.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.3 | 175.3 | 26.1 | -33.4 | 0 | 0 | 0 | 110.9 | Y216 | P214-Y216 VanDerWaalsContact C-N 3.31Å; P214-Y216 PolarHBondContact O-N 3.46Å; P214-Y216 VanDerWaalsContact O-N 3.12Å |
| 215 | L | 47.4 | Very low | 44.7 | Very low | 166 Ų | 166 | 162 Ų | 162 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -85.4 | 38.9 | -169.5 | -71.6 | 169.5 | 0 | 0 | 0 | 114.7 | R213 | R213-L215 PolarHBondContact O-N 3.05Š|
| 216 | Y | 46.9 | Very low | 44.8 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -151.7 | 140.6 | 170.3 | -97.9 | -79.9 | 0 | 0 | 0 | 112.7 | P214 | P214-Y216 VanDerWaalsContact C-N 3.31Å; P214-Y216 PolarHBondContact O-N 3.46Å; P214-Y216 VanDerWaalsContact O-N 3.12Å |
| 217 | P | 42.3 | Very low | 44.3 | Very low | 90 Ų | 90 | 157.1 Ų | 157.1 | 58% | 0.584 | 78% | 0.78 | S | S | * | * | | | trans | -84 | 124.2 | 174.1 | 31.7 | -32.8 | 0 | 0 | 0 | 112.3 | Y219 | P217-Y219 HydrophobicContact CB-CE2 4.49Å; P217-Y219 HydrophobicContact CG-CE2 4.17Å; P217-Y219 PolarHBondContact O-N 2.94Å |
| 218 | P | 47.1 | Very low | 43.8 | Very low | 126 Ų | 126 | 159.1 Ų | 159.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -78.9 | 114.3 | 170.9 | 31 | -31.7 | 0 | 0 | 0 | 110.3 | | |
| 219 | Y | 44.5 | Very low | 43.5 | Very low | 191 Ų | 191 | 157.1 Ų | 157.1 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -83.9 | 140.5 | 166.3 | -73.6 | -89.7 | 0 | 0 | 0 | 110 | P217 | P217-Y219 HydrophobicContact CB-CE2 4.49Å; P217-Y219 HydrophobicContact CG-CE2 4.17Å; P217-Y219 PolarHBondContact O-N 2.94Å |
| 220 | Y | 47.2 | Very low | 43.7 | Very low | 215 Ų | 215 | 154.2 Ų | 154.2 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | 64.9 | 112.2 | -178.7 | -50.9 | -83.3 | 0 | 0 | 0 | 116 | | |
| 221 | L | 43.4 | Very low | 43 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | | | | -160.1 | 170 | 104.8 | -101.9 | 169 | 0 | 0 | 0 | 109.9 | | |
| 222 | S | 35.7 | Very low | 42.7 | Very low | 108 Ų | 108 | 157.5 Ų | 157.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -123 | 144 | -161.9 | -165.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 223 | R | 32.6 | Very low | 42.9 | Very low | 236 Ų | 236 | 152.9 Ų | 152.9 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | 61.1 | 106.1 | 153.8 | -149.6 | 173.7 | -159.1 | 163.8 | 4.9 | 119.4 | | |
| 224 | H | 41.9 | Very low | 42.6 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -40.2 | 134.1 | 157.1 | -123.7 | -95 | 0 | 0 | 0 | 115.1 | | |
| 225 | I | 40 | Very low | 42.2 | Very low | 165 Ų | 165 | 150 Ų | 150 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -145.9 | 139.6 | 132.3 | -61.4 | -168.5 | 0 | 0 | 0 | 107.1 | | |
| 226 | P | 47.3 | Very low | 42 | Very low | 88 Ų | 88 | 150.2 Ų | 150.2 | 57% | 0.571 | 77% | 0.773 | S | S | * | * | | | trans | -116.1 | 169.2 | -170.3 | 43.4 | -34.6 | 0 | 0 | 0 | 116.2 | | |
| 227 | V | 43.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | 63 | 102.7 | 162.8 | -152 | 0 | 0 | 0 | 0 | 118.5 | | |
| 228 | N | 36.4 | Very low | 42 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | | 177.7 | 154.6 | 108.6 | -95.2 | -69.4 | 0 | 0 | 0 | 112.3 | | |
| 229 | D | 37.9 | Very low | 41.9 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -81.3 | 172.1 | 166.7 | -96.2 | -49 | 0 | 0 | 0 | 111.5 | | |
| 230 | P | 55.4 | Low | 42 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -130 | -178.9 | -33.5 | 33.1 | -15.7 | 0 | 0 | 0 | 112.2 | | |
| 231 | N | 33.4 | Very low | 41.3 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 103.2 | 145.9 | 170.6 | -58.8 | -80.3 | 0 | 0 | 0 | 118.1 | | |
| 232 | V | 36.8 | Very low | 41.4 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | | | trans | -115.8 | 156.2 | -175.3 | 154.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 233 | P | 46.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | | | cis | -143.8 | 161.6 | 21.9 | 38 | -16.9 | 0 | 0 | 0 | 119.6 | | |
| 234 | S | 40.2 | Very low | 42.1 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | 71.8 | 170.9 | 132.5 | 70.2 | 0 | 0 | 0 | 0 | 123 | | |
| 235 | F | 39.1 | Very low | 41.7 | Very low | 191 Ų | 191 | 140 Ų | 140 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | 66.8 | 143.5 | -177.9 | -62.5 | -87.3 | 0 | 0 | 0 | 116.7 | | |
| 236 | Q | 42.8 | Very low | 42 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | cis | 166.6 | 159.7 | -31.7 | -99.6 | -78.7 | -60.2 | 0 | 0 | 104.8 | | |
| 237 | P | 54.7 | Low | 41.7 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | trans | -97.7 | 169 | -161.8 | 39 | -35.5 | 0 | 0 | 0 | 114.4 | | |
| 238 | E | 36.2 | Very low | 42 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | -119.4 | 158.6 | 173.4 | -158.3 | 139.9 | -135.5 | 0 | 0 | 111.4 | | |
| 239 | F | 43.6 | Very low | 42.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | | | trans | -112.2 | 159 | -157 | -86.4 | -102.6 | 0 | 0 | 0 | 114.1 | | |
| 240 | I | 46 | Very low | 42.8 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | trans | 62.3 | 130 | 142.5 | -70.3 | 165.8 | 0 | 0 | 0 | 116.3 | | |
| 241 | D | 33.8 | Very low | 42.5 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | -160.8 | -161.8 | 73.2 | -154.6 | -4.3 | 0 | 0 | 0 | 115.3 | | |
| 242 | T | 46.3 | Very low | 42.9 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | | | trans | -150.8 | 159.5 | -147.3 | -17 | 0 | 0 | 0 | 0 | 111.1 | | |
| 243 | Q | 41 | Very low | 43.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 74% | 0.744 | S | S | * | * | | | trans | 146.7 | 113.3 | 138.3 | -77.5 | -71.1 | -46.7 | 0 | 0 | 113.4 | | |
| 244 | R | 40.1 | Very low | 43.6 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | 70.1 | 158 | 153.9 | -54.5 | 179.5 | -161 | -138.8 | -2.3 | 116.8 | | |
| 245 | S | 33.9 | Very low | 43.8 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | cis | -135.6 | -177.6 | 9.3 | -157 | 0 | 0 | 0 | 0 | 113.9 | | |
| 246 | L | 45.9 | Very low | 44 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | -64.3 | 139.4 | -168.7 | -73.4 | 65.1 | 0 | 0 | 0 | 114.8 | | |
| 247 | V | 42 | Very low | 44 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | | -172.7 | 139.1 | 105.3 | 150.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 248 | Q | 50.4 | Low | 44 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -116.8 | 131.7 | 172 | -80.6 | -170.2 | -8.3 | 0 | 0 | 111.5 | | |
| 249 | P | 47.1 | Very low | 44.4 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 162 | 150.6 | 34.6 | -30.2 | 0 | 0 | 0 | 110.9 | | |
| 250 | P | 44.3 | Very low | 44.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 152.1 | -161.1 | 30.7 | -36.7 | 0 | 0 | 0 | 115.6 | | |
| 251 | I | 48.5 | Very low | 45.2 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.3 | 172.7 | -60.9 | 166.9 | 0 | 0 | 0 | 109.9 | | |
| 252 | A | 41.8 | Very low | 45.6 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | -124.2 | 125 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 253 | P | 50.9 | Low | 45.8 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 57% | 0.571 | 76% | 0.762 | S | S | * | * | | | trans | -79.5 | 133.4 | -175.3 | 30.7 | -33.8 | 0 | 0 | 0 | 111.7 | H255 | P253-H255 PolarHBondContact O-CD2 2.96Å; P253-H255 PolarHBondContact O-N 3.26Å; P253-H255 VanDerWaalsContact O-N 3.1Å |
| 254 | P | 47.4 | Very low | 45.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | | | trans | -70 | 106.4 | 166.2 | 28.7 | -31.7 | 0 | 0 | 0 | 109.1 | G256 | P254-G256 PolarHBondContact O-N 2.94Š|
| 255 | H | 44.4 | Very low | 45.9 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.1 | 179.5 | -70.3 | -95.9 | 0 | 0 | 0 | 111.3 | P253 T257 | P253-H255 PolarHBondContact O-CD2 2.96Å; P253-H255 PolarHBondContact O-N 3.26Å; P253-H255 VanDerWaalsContact O-N 3.1Å; H255-T257 PolarHBondContact O-N 3.35Å |
| 256 | G | 42.4 | Very low | 46.7 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P254 | P254-G256 PolarHBondContact O-N 2.94Š|
| 257 | T | 43.1 | Very low | 46.5 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 120.1 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | H255 F259 | H255-T257 PolarHBondContact O-N 3.35Å; T257-F259 VanDerWaalsContact C-N 3.31Å; T257-F259 PolarHBondContact O-N 3.1Å |
| 258 | P | 55.8 | Low | 46.3 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -87.8 | 48.1 | -167.3 | 36.7 | -38.7 | 0 | 0 | 0 | 114.1 | | |
| 259 | F | 44.2 | Very low | 46 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -140.7 | 132.3 | 176.8 | -69.9 | -74.3 | 0 | 0 | 0 | 112.7 | T257 | T257-F259 VanDerWaalsContact C-N 3.31Å; T257-F259 PolarHBondContact O-N 3.1Å |
| 260 | P | 54.4 | Low | 45.9 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 137.7 | 179.6 | 31.3 | -34.2 | 0 | 0 | 0 | 112.1 | Y262 | P260-Y262 PolarHBondContact O-N 3.41Š|
| 261 | P | 50.7 | Low | 45.9 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76 | 120.2 | 175 | 29.6 | -33.1 | 0 | 0 | 0 | 111.5 | P263 | P261-P263 WeakPolarHBondContact O-CD 3.43Š|
| 262 | Y | 42.6 | Very low | 45.9 | Very low | 222 Ų | 222 | 142.9 Ų | 142.9 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 120.8 | 174.6 | -83 | -97.9 | 0 | 0 | 0 | 111.8 | P260 Y264 | P260-Y262 PolarHBondContact O-N 3.41Å; Y262-Y264 PolarHBondContact O-N 3.34Å |
| 263 | P | 51.8 | Low | 46.6 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | -89.8 | 80.1 | -177.6 | 35.3 | -34.2 | 0 | 0 | 0 | 112.2 | P261 R265 | P261-P263 WeakPolarHBondContact O-CD 3.43Å; P263-R265 VanDerWaalsContact C-N 3.27Å; P263-R265 PolarHBondContact O-N 3.27Å |
| 264 | Y | 41.2 | Very low | 46.8 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | -74.7 | 76.3 | 173.5 | -142.1 | -84.7 | 0 | 0 | 0 | 111.1 | Y262 Y266 | Y262-Y264 PolarHBondContact O-N 3.34Å; Y264-Y266 HydrophobicContact CE1-CD2 4.36Å; Y264-Y266 PolarHBondContact O-N 3.38Å; Y264-Y266 VanDerWaalsContact O-N 3.1Å |
| 265 | R | 41.5 | Very low | 47.1 | Very low | 206 Ų | 206 | 143 Ų | 143 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -76 | 96 | -173.7 | -73.7 | -167.7 | -179 | -118.2 | 5.9 | 113.1 | P263 | P263-R265 VanDerWaalsContact C-N 3.27Å; P263-R265 PolarHBondContact O-N 3.27Å |
| 266 | Y | 49.9 | Very low | 47.7 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -115.5 | 62.5 | 159.1 | -102.2 | -80.7 | 0 | 0 | 0 | 110.9 | Y264 | Y264-Y266 HydrophobicContact CE1-CD2 4.36Å; Y264-Y266 PolarHBondContact O-N 3.38Å; Y264-Y266 VanDerWaalsContact O-N 3.1Å |
| 267 | C | 42.4 | Very low | 47.9 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -151.8 | 114.2 | 172.8 | -88.6 | 0 | 0 | 0 | 0 | 110.2 | T269 | C267-T269 PolarHBondContact O-N 3.33Š|
| 268 | H | 38.6 | Very low | 48.4 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -78.9 | 99.8 | 165.3 | -77.2 | -59.7 | 0 | 0 | 0 | 109.4 | L270 | H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 3.16Å |
| 269 | T | 43.5 | Very low | 48.1 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -73.9 | 88.2 | 167.6 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | C267 H271 | C267-T269 PolarHBondContact O-N 3.33Å; T269-H271 PolarHBondContact O-N 3.48Å; T269-H271 VanDerWaalsContact O-N 3.12Å |
| 270 | L | 44.6 | Very low | 48.4 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 102 | 170.5 | -68.2 | 172 | 0 | 0 | 0 | 109.4 | H268 | H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 3.16Å |
| 271 | H | 43.4 | Very low | 47.6 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | trans | -72.3 | 140.8 | 161.5 | -99.6 | -95.6 | 0 | 0 | 0 | 109.4 | T269 G273 | T269-H271 PolarHBondContact O-N 3.48Å; T269-H271 VanDerWaalsContact O-N 3.12Å; H271-G273 PolarHBondContact O-N 3.15Å |
| 272 | P | 49 | Very low | 47.5 | Very low | 122 Ų | 122 | 156 Ų | 156 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -68.9 | 112.5 | 171.3 | 28.4 | -32.6 | 0 | 0 | 0 | 109.6 | | |
| 273 | G | 56 | Low | 47.6 | Very low | 61 Ų | 61 | 150.2 Ų | 150.2 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 164.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H271 | H271-G273 PolarHBondContact O-N 3.15Š|
| 274 | P | 55.1 | Low | 47.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 151.3 | 173 | 28.6 | -35 | 0 | 0 | 0 | 111.2 | L276 | P274-L276 PolarHBondContact O-N 3.08Š|
| 275 | P | 54.3 | Low | 48.1 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122.4 | -177.5 | 26.7 | -34.3 | 0 | 0 | 0 | 111.4 | | |
| 276 | L | 58.1 | Low | 48.5 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 147 | 173.4 | -65.8 | 173.6 | 0 | 0 | 0 | 110.6 | P274 | P274-L276 PolarHBondContact O-N 3.08Š|
| 277 | P | 46.6 | Very low | 48.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 134.3 | -179.3 | 26 | -34 | 0 | 0 | 0 | 112.2 | T279 | P277-T279 VanDerWaalsContact C-N 3.33Å; P277-T279 PolarHBondContact O-N 3.28Å |
| 278 | Y | 53.1 | Low | 48.2 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -87.8 | 57.6 | -165.2 | -153.4 | -89.4 | 0 | 0 | 0 | 112.9 | | |
| 279 | T | 48.7 | Very low | 48.5 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -125.4 | -2.8 | -172.2 | 53.3 | 0 | 0 | 0 | 0 | 116 | P277 | P277-T279 VanDerWaalsContact C-N 3.33Å; P277-T279 PolarHBondContact O-N 3.28Å |
| 280 | L | 50.7 | Low | 48.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -131.3 | 19.4 | -178.3 | -70.2 | 176.5 | 0 | 0 | 0 | 115 | | |
| 281 | Y | 37.6 | Very low | 48.6 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | | | trans | -96.6 | 99.8 | 171.4 | -156 | -96.7 | 0 | 0 | 0 | 111.3 | | |
| 282 | R | 48.9 | Very low | 48.2 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | trans | -85.7 | 131.5 | 175.5 | -158.8 | -175 | -153.6 | -179.6 | 6.9 | 109.3 | | |
| 283 | P | 44.8 | Very low | 47.9 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -60 | 138.8 | 174.5 | -23.9 | 34.3 | 0 | 0 | 0 | 112 | D285 | P283-D285 PolarHBondContact O-N 3.38Å; P283-D285 VanDerWaalsContact O-N 3.16Å |
| 284 | H | 51.6 | Low | 47.6 | Very low | 183 Ų | 183 | 148 Ų | 148 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -87.3 | 48.7 | 176.5 | -102.2 | -72.3 | 0 | 0 | 0 | 111.9 | | |
| 285 | D | 52.5 | Low | 47.1 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -127.6 | 52.8 | -178.8 | -76.7 | -60.2 | 0 | 0 | 0 | 111.7 | P283 | P283-D285 PolarHBondContact O-N 3.38Å; P283-D285 VanDerWaalsContact O-N 3.16Å |
| 286 | L | 48.4 | Very low | 46.9 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138.5 | 146.6 | 162.4 | -79.5 | -178.6 | 0 | 0 | 0 | 111 | | |
| 287 | S | 41.7 | Very low | 45.9 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -62.7 | 156.6 | 179.3 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | P289 | S287-P289 WeakPolarHBondContact O-CD 3.36Š|
| 288 | I | 45.8 | Very low | 46.1 | Very low | 153 Ų | 153 | 156 Ų | 156 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -75.6 | 115.5 | 172.2 | -58.8 | 168.8 | 0 | 0 | 0 | 108.6 | | |
| 289 | P | 43.4 | Very low | 45.9 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -75.5 | 122.4 | 163.2 | 31.5 | -31.5 | 0 | 0 | 0 | 108.9 | S287 T291 | S287-P289 WeakPolarHBondContact O-CD 3.36Å; P289-T291 PolarHBondContact O-N 2.91Å; P289-T291 VanDerWaalsContact O-N 3.08Å |
| 290 | I | 48.4 | Very low | 45.8 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -79.7 | 88.9 | 172.8 | -58.3 | 175.7 | 0 | 0 | 0 | 108.1 | G292 | I290-G292 PolarHBondContact O-N 3.05Š|
| 291 | T | 41.9 | Very low | 45.6 | Very low | 113 Ų | 113 | 157.9 Ų | 157.9 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | | | trans | -85.3 | 97.1 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | P289 | P289-T291 PolarHBondContact O-N 2.91Å; P289-T291 VanDerWaalsContact O-N 3.08Å |
| 292 | G | 34.6 | Very low | 45.7 | Very low | 68 Ų | 68 | 152.9 Ų | 152.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -143.2 | 70.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I290 R294 | I290-G292 PolarHBondContact O-N 3.05Å; G292-R294 PolarHBondContact O-N 3.18Å |
| 293 | H | 43.2 | Very low | 45.5 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | | | trans | -55.2 | 123.5 | -178.8 | -70.8 | -94.2 | 0 | 0 | 0 | 113 | | |
| 294 | R | 50 | Low | 45.6 | Very low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -161.2 | 156.1 | 136.2 | -107.3 | -167.7 | -70.2 | -128.1 | 6.4 | 109.8 | G292 | G292-R294 PolarHBondContact O-N 3.18Š|
| 295 | Y | 45.1 | Very low | 45.4 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | 76.5 | 156 | -174.7 | -59.3 | -79.5 | 0 | 0 | 0 | 115.8 | | |
| 296 | F | 49.3 | Very low | 44.8 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -114.4 | 156.8 | -154.2 | -61.7 | -101.5 | 0 | 0 | 0 | 111.3 | | |
| 297 | S | 36.8 | Very low | 44.8 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -61 | 142.6 | 165.8 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 298 | L | 51.9 | Low | 45 | Very low | 160 Ų | 160 | 153.7 Ų | 153.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -110.2 | 35.8 | -177.4 | -162.6 | 69.6 | 0 | 0 | 0 | 111.3 | | |
| 299 | D | 47.8 | Very low | 45.1 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | -101.7 | 23.6 | -170.1 | -61.6 | -61.2 | 0 | 0 | 0 | 113.6 | | |
| 300 | D | 47 | Very low | 45.1 | Very low | 158 Ų | 158 | 158.6 Ų | 158.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -131.9 | 16.5 | -174.4 | -97.7 | -46.5 | 0 | 0 | 0 | 114.3 | | |
| 301 | Y | 46.9 | Very low | 44.8 | Very low | 236 Ų | 236 | 158.9 Ų | 158.9 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -130 | 74 | 174.6 | -101.1 | -87.4 | 0 | 0 | 0 | 111.7 | | |
| 302 | G | 39.8 | Very low | 45 | Very low | 82 Ų | 82 | 160.1 Ų | 160.1 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | | | trans | -140.6 | 10.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 303 | Q | 44.3 | Very low | 45.4 | Very low | 206 Ų | 206 | 166 Ų | 166 | 96% | 0.963 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -138.5 | 118.3 | -178.8 | -166.4 | 162.7 | 23 | 0 | 0 | 112.2 | | |
| 304 | G | 47.6 | Very low | 45.3 | Very low | 62 Ų | 62 | 166.2 Ų | 166.2 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | | | trans | 133.6 | 24.5 | 165 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 305 | F | 46.7 | Very low | 44.9 | Very low | 220 Ų | 220 | 165.2 Ų | 165.2 | 97% | 0.965 | 83% | 0.826 | S | S | * | * | | | trans | -129.1 | 143.1 | 159.3 | -80.4 | -72.4 | 0 | 0 | 0 | 111.8 | | |
| 306 | G | 39.6 | Very low | 44.5 | Very low | 75 Ų | 75 | 160.6 Ų | 160.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | trans | -86.4 | 140.2 | -157.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K308 | G306-K308 PolarHBondContact O-N 2.85Š|
| 307 | Q | 49.2 | Very low | 43.9 | Very low | 196 Ų | 196 | 159.4 Ų | 159.4 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -65.1 | 93.2 | 163.9 | 176.7 | -167.5 | 2.8 | 0 | 0 | 110.3 | | |
| 308 | K | 46.8 | Very low | 43.6 | Very low | 177 Ų | 177 | 159 Ų | 159 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | | | trans | -153.2 | 144.8 | 158.5 | -79.7 | -141 | 172.6 | -149.1 | 0 | 112.6 | G306 | G306-K308 PolarHBondContact O-N 2.85Š|
| 309 | D | 45.8 | Very low | 42.6 | Very low | 139 Ų | 139 | 156.3 Ų | 156.3 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | | | trans | 58.7 | 72 | 154 | -46.9 | -18.7 | 0 | 0 | 0 | 117.9 | | |
| 310 | Y | 43.8 | Very low | 42.1 | Very low | 220 Ų | 220 | 157.8 Ų | 157.8 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | | | trans | -140 | 18.7 | 158 | -121.6 | -81.2 | 0 | 0 | 0 | 116.1 | L312 | Y310-L312 PolarHBondContact O-N 3.33Š|
| 311 | D | 43.1 | Very low | 41.4 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -78.5 | 55.5 | 170.9 | -73.5 | -55.2 | 0 | 0 | 0 | 112.4 | | |
| 312 | L | 46.6 | Very low | 40.6 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | | | trans | -145.2 | 138.9 | 174.7 | -139.4 | 71.6 | 0 | 0 | 0 | 110.2 | Y310 | Y310-L312 PolarHBondContact O-N 3.33Š|
| 313 | Y | 42 | Very low | 40.2 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | 75.4 | 64.2 | -172.2 | -65 | -86.3 | 0 | 0 | 0 | 117.4 | | |
| 314 | M | 42.2 | Very low | 39.6 | Very low | 180 Ų | 180 | 152 Ų | 152 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -122.8 | 30.6 | 152.6 | -97.4 | -63.1 | 124.4 | 0 | 0 | 114.1 | | |
| 315 | Y | 41.2 | Very low | 38.9 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -147.1 | 117.8 | 166.6 | -95.3 | -77.6 | 0 | 0 | 0 | 112.2 | | |
| 316 | S | 36.3 | Very low | 38.4 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -172.2 | 116.7 | 152.9 | -84.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 317 | H | 35.9 | Very low | 38 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | trans | -77.7 | 136 | 173.1 | -61.8 | -92.7 | 0 | 0 | 0 | 110.3 | | |
| 318 | S | 30.6 | Very low | 37.3 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | | | trans | -96 | 102.7 | 167.8 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | H320 | S318-H320 PolarHBondContact OG-CD2 3.17Å; S318-H320 PolarHBondContact OG-NE2 3.45Å; S318-H320 VanDerWaalsContact OG-NE2 3.16Å |
| 319 | S | 32 | Very low | 36.6 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -111.9 | 96.5 | 166.1 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | N321 | S319-N321 PolarHBondContact O-N 3.49Å; S319-N321 VanDerWaalsContact O-N 3.16Å |
| 320 | H | 36.3 | Very low | 36.1 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -83.1 | 88 | 177.5 | -77.7 | -66.9 | 0 | 0 | 0 | 112 | S318 | S318-H320 PolarHBondContact OG-CD2 3.17Å; S318-H320 PolarHBondContact OG-NE2 3.45Å; S318-H320 VanDerWaalsContact OG-NE2 3.16Å |
| 321 | N | 31.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -82.6 | 132.1 | 154.8 | -82.8 | -29.2 | 0 | 0 | 0 | 109.3 | S319 | S319-N321 PolarHBondContact O-N 3.49Å; S319-N321 VanDerWaalsContact O-N 3.16Å |
| 322 | S | 30.4 | Very low | 35.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -92.8 | 127.5 | 167.3 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 323 | S | 31 | Very low | 34.9 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | | | trans | -80.2 | 178.5 | -177.3 | -62.5 | 0 | 0 | 0 | 0 | 114 | | |
| 324 | H | 33.6 | Very low | 34.5 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | trans | 82 | 136.1 | 171 | -40.5 | -70 | 0 | 0 | 0 | 115.2 | | |
| 325 | S | 32.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | cis | -140.4 | 169.6 | 1.5 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 326 | S | 35.5 | Very low | 34 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -93.8 | 143.8 | -176.7 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 327 | A | 32.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | trans | -146.1 | 143.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 328 | Q | 33.9 | Very low | 35.2 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | | | trans | -113.7 | 142.9 | -178.3 | 172.5 | -173.1 | -3 | 0 | 0 | 108.4 | | |
| 329 | G | 30.7 | Very low | 35.8 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | 172.4 | 140.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 330 | E | 36.1 | Very low | 36.5 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -101.5 | 162.3 | -175.8 | -65.4 | 173.5 | 92.9 | 0 | 0 | 113.5 | | |
| 331 | S | 31.5 | Very low | 37.2 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | trans | 98.2 | 156.6 | 137.9 | -149.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 332 | H | 35.8 | Very low | 37.8 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | 65.2 | 104.4 | 168.2 | -57.6 | -60.2 | 0 | 0 | 0 | 120.6 | | |
| 333 | Q | 40.8 | Very low | 39.2 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | 7 | 120.3 | 135.8 | -56.1 | 177.3 | 9.3 | 0 | 0 | 118.2 | | |
| 334 | S | 33.5 | Very low | 40 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | | | | -160.8 | 157.8 | 116.3 | -164.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 335 | G | 35.1 | Very low | 40.8 | Very low | 60 Ų | 60 | 142.1 Ų | 142.1 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | | | trans | -103.6 | 152.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 336 | D | 38.7 | Very low | 41.4 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | | -159 | 131.1 | 119.2 | -116 | 8.2 | 0 | 0 | 0 | 116.7 | | |
| 337 | K | 50.9 | Low | 41.9 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 67% | 0.665 | 80% | 0.799 | S | S | * | * | | | trans | 45.6 | 107.6 | 136.8 | -62.3 | 174.8 | -170.6 | 85.9 | 0 | 120.6 | | |
| 338 | T | 46.4 | Very low | 42.6 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | | 80.1 | 118.4 | 126.8 | 55.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 339 | T | 44 | Very low | 43.3 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | 71.8 | 73.2 | 135.2 | -43.1 | 0 | 0 | 0 | 0 | 118.2 | L341 | T339-L341 HydrophobicContact CG2-CD1 4.38Å; T339-L341 HydrophobicContact CG2-CG 4.2Å |
| 340 | R | 46.4 | Very low | 44.1 | Very low | 247 Ų | 247 | 141.3 Ų | 141.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -95.8 | 129.7 | 137.5 | -73.1 | -173.8 | 170.6 | -154.7 | -3 | 108.7 | | |
| 341 | L | 51.1 | Low | 44.3 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | | | trans | -119.4 | 113 | 169.3 | -70.2 | 176.9 | 0 | 0 | 0 | 108.9 | T339 | T339-L341 HydrophobicContact CG2-CD1 4.38Å; T339-L341 HydrophobicContact CG2-CG 4.2Å |
| 342 | S | 42.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 137.8 | 171.2 | -53.7 | 0 | 0 | 0 | 0 | 110 | K344 | S342-K344 PolarHBondContact O-N 3.42Š|
| 343 | P | 61.7 | Low | 46 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.3 | 162.4 | -18.7 | 32.3 | 0 | 0 | 0 | 109.8 | | |
| 344 | K | 46.7 | Very low | 46.3 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 167.1 | 169.5 | -88.3 | -165 | 168.5 | -164.7 | 0 | 111.4 | S342 | S342-K344 PolarHBondContact O-N 3.42Š|
| 345 | E | 50.7 | Low | 47.3 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 165.8 | -179.4 | -48.6 | 101.5 | 120 | 0 | 0 | 113.8 | | |
| 346 | G | 43.9 | Very low | 48.1 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | 135.8 | 88.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 347 | C | 46.5 | Very low | 48 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | | | trans | -164.6 | 73.3 | 154.7 | -101 | 0 | 0 | 0 | 0 | 111 | A349 | C347-A349 PolarHBondContact O-N 2.88Š|
| 348 | S | 47.8 | Very low | 47.8 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | | | trans | -75.5 | 106.3 | 164.5 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 349 | A | 48.9 | Very low | 47.6 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -105 | 78.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C347 G351 | C347-A349 PolarHBondContact O-N 2.88Å; A349-G351 PolarHBondContact O-N 3.3Å |
| 350 | L | 46.2 | Very low | 47.5 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -73.2 | 120.2 | 164 | -70.3 | 172.6 | 0 | 0 | 0 | 108.3 | | |
| 351 | G | 40.2 | Very low | 47.4 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | 175.7 | 83.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A349 | A349-G351 PolarHBondContact O-N 3.3Š|
| 352 | S | 45 | Very low | 46.7 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | -60.8 | 134.4 | 171.9 | -58 | 0 | 0 | 0 | 0 | 110.1 | D354 | S352-D354 PolarHBondContact O-N 2.88Š|
| 353 | P | 58.3 | Low | 46.2 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -71.5 | 115.2 | 172.9 | 28.7 | -32.4 | 0 | 0 | 0 | 109.6 | | |
| 354 | D | 47.2 | Very low | 44.7 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -58.8 | 148 | 176.7 | -100.1 | -46.8 | 0 | 0 | 0 | 112.4 | S352 | S352-D354 PolarHBondContact O-N 2.88Š|
| 355 | R | 54.2 | Low | 43.7 | Very low | 231 Ų | 231 | 144.1 Ų | 144.1 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | -64.8 | 135.6 | 179.1 | -70 | 179.2 | 174 | 177.9 | -1.2 | 110.2 | N357 | R355-N357 PolarHBondContact O-N 2.97Š|
| 356 | P | 52.5 | Low | 42.9 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -65.2 | 111.3 | 172.5 | 27 | -33.3 | 0 | 0 | 0 | 110.1 | Q358 | P356-Q358 PolarHBondContact O-N 3.19Š|
| 357 | N | 37.3 | Very low | 42.3 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -67.1 | 122 | 176.7 | -175.2 | 1.4 | 0 | 0 | 0 | 110.3 | R355 A359 | R355-N357 PolarHBondContact O-N 2.97Å; N357-A359 PolarHBondContact O-N 3.47Å |
| 358 | Q | 45.2 | Very low | 41.7 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -94.6 | 73.1 | -175.4 | -169.9 | 169.9 | 68.5 | 0 | 0 | 111.1 | P356 | P356-Q358 PolarHBondContact O-N 3.19Š|
| 359 | A | 42.3 | Very low | 40.8 | Very low | 61 Ų | 61 | 143.3 Ų | 143.3 | 50% | 0.504 | 81% | 0.808 | S | S | . | * | | | trans | -128.1 | 142.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | N357 | N357-A359 PolarHBondContact O-N 3.47Š|
| 360 | N | 43.3 | Very low | 40 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | 70.7 | 101.8 | -176.6 | -47 | -64 | 0 | 0 | 0 | 115.8 | | |
| 361 | I | 42.7 | Very low | 39.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | | | trans | -170.6 | 77.1 | 137.7 | -89.5 | 147 | 0 | 0 | 0 | 107.4 | | |
| 362 | V | 36.7 | Very low | 38.6 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -154.9 | 136.2 | 157.6 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 363 | L | 32 | Very low | 37.7 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 61.6 | 138.1 | -173.7 | -94.9 | 67.6 | 0 | 0 | 0 | 114.2 | | |
| 364 | R | 31.9 | Very low | 36.4 | Very low | 210 Ų | 210 | 146.3 Ų | 146.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | cis | -116.3 | 176.1 | -13.8 | -93.2 | -166.9 | -176.6 | -125.5 | 5.9 | 106.9 | | |
| 365 | E | 25.5 | Very low | 35.6 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | cis | -149.6 | 153.2 | 40.6 | -70.4 | 168 | 159.1 | 0 | 0 | 113.6 | | |
| 366 | S | 32.5 | Very low | 34.4 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -133.8 | 153.6 | 149.9 | -73 | 0 | 0 | 0 | 0 | 106 | | |
| 367 | E | 32.8 | Very low | 33.5 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | 71.7 | 142.2 | -179.5 | -49.5 | 170.1 | 158.2 | 0 | 0 | 115 | | |
| 368 | A | 32.8 | Very low | 33.2 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | -175.9 | 153.8 | -33.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 369 | S | 30.2 | Very low | 32.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 64.5 | 134.7 | 159 | -59 | 0 | 0 | 0 | 0 | 119.2 | | |
| 370 | Q | 31.7 | Very low | 31.7 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -80.6 | 143.4 | 170.8 | -58.3 | 157.3 | -5.7 | 0 | 0 | 110.1 | | |
| 371 | C | 27.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | | 172.4 | 140.9 | 124.9 | -99.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 372 | T | 29.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | 45 | 141.3 | 139.1 | 63.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 373 | T | 25.7 | Very low | 30.2 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | cis | -172 | 155 | -12.3 | 21.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 374 | S | 29.8 | Very low | 30 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 24.2 | 122.4 | 152.7 | 61.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 375 | G | 30.3 | Very low | 29.9 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -179.6 | 73.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 376 | E | 29.5 | Very low | 30.1 | Very low | 196 Ų | 196 | 128.6 Ų | 128.6 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | trans | -74.1 | 160.4 | 162.4 | -60.2 | 157.4 | 140.1 | 0 | 0 | 108.7 | | |
| 377 | S | 32.9 | Very low | 30 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | cis | -156.9 | 179.5 | 16.7 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 378 | E | 32.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | | | trans | 67.4 | 118 | 151.9 | -82 | 143.5 | -119.3 | 0 | 0 | 121.4 | | |
| 379 | T | 28.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | | 70 | 151.4 | 94 | 77.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 380 | S | 27.7 | Very low | 29.9 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | cis | -161.6 | 145.8 | -3.8 | 130.9 | 0 | 0 | 0 | 0 | 112 | | |
| 381 | L | 29.7 | Very low | 29.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | 55.4 | 138.2 | 149.6 | -65.4 | 173.5 | 0 | 0 | 0 | 123.4 | | |
| 382 | Q | 30.2 | Very low | 30 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 64.8 | 161.2 | 144.8 | -75.5 | -166.3 | 33.9 | 0 | 0 | 118.3 | | |
| 383 | L | 29.9 | Very low | 30 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | cis | 168.7 | 128.8 | -19.5 | 170.3 | 67.6 | 0 | 0 | 0 | 103.7 | | |
| 384 | G | 27.8 | Very low | 30.2 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | 172.5 | 130.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 385 | H | 30.9 | Very low | 30.2 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | | | trans | -98.5 | 157.2 | 170.2 | -60.4 | -58 | 0 | 0 | 0 | 110.7 | | |
| 386 | G | 28.2 | Very low | 30.1 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | 145.8 | 97 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 387 | S | 31.4 | Very low | 30 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | | 48.6 | 122.1 | 128.3 | -59.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 388 | K | 30.2 | Very low | 30 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | | 67.3 | 154.9 | 127.1 | -72.2 | -173.2 | 176.8 | -176.9 | 0 | 119.6 | | |
| 389 | V | 30.1 | Very low | 29.8 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | cis | -165.1 | -170.8 | -26.7 | 86.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 390 | V | 33.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | 84.8 | 106.8 | 178.3 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 391 | E | 31.7 | Very low | 30.3 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | | 79.4 | 148.9 | 84.2 | -119.5 | 175.8 | 155.1 | 0 | 0 | 112.2 | | |
| 392 | L | 29 | Very low | 30.6 | Very low | 139 Ų | 139 | 140 Ų | 140 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | cis | -168.2 | 161.7 | 36.5 | -179.7 | 59.3 | 0 | 0 | 0 | 113 | | |
| 393 | V | 30.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 90.7 | 155.9 | 153.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 394 | T | 30.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | | 34.9 | 127.5 | 116.1 | 64 | 0 | 0 | 0 | 0 | 125.3 | | |
| 395 | K | 29.6 | Very low | 31.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | | 78.7 | 127.5 | 125.5 | -89.3 | 179.6 | 157.7 | -89.6 | 0 | 124.8 | | |
| 396 | D | 27.1 | Very low | 31.3 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | trans | 82.4 | 143.8 | 130 | -83.5 | -46.8 | 0 | 0 | 0 | 124.8 | | |
| 397 | S | 29.1 | Very low | 31.7 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | | | trans | 87.6 | 109.4 | 145.2 | -169.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 398 | R | 31.7 | Very low | 31.8 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | 52.9 | 130.7 | 135.1 | -61.6 | 174.1 | 171.3 | -119 | 1.4 | 122 | | |
| 399 | Q | 28.4 | Very low | 32.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | | -163.5 | 143.9 | 111.4 | -101.2 | -174.5 | -65.5 | 0 | 0 | 108.3 | | |
| 400 | E | 31.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | | | | 54.9 | 135.9 | 82.8 | -68.3 | 174.2 | 171.7 | 0 | 0 | 113.8 | | |
| 401 | E | 36.1 | Very low | 32 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | cis | -161.3 | -175.1 | -19.5 | -141 | -122.9 | 143 | 0 | 0 | 106.2 | | |
| 402 | S | 35 | Very low | 32.2 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | cis | -146.6 | -162.2 | 12 | -48.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 403 | A | 35.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | | | cis | -158 | -177.5 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 404 | E | 35 | Very low | 33 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | 18.5 | 140 | 140.9 | -66.4 | 169.9 | -173 | 0 | 0 | 121.5 | | |
| 405 | T | 29.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | cis | -147.6 | 124.7 | 31.5 | -53.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 406 | L | 33.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | | | trans | 34.8 | 97.3 | 138.3 | -139.9 | 143.4 | 0 | 0 | 0 | 119.1 | | |
| 407 | L | 37 | Very low | 33.5 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | | 70.8 | 128.1 | 87.5 | -72.1 | 177.4 | 0 | 0 | 0 | 118.2 | | |
| 408 | Q | 33.2 | Very low | 33.7 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | | -151.6 | 152 | 123.1 | -155.8 | 63.9 | 55.5 | 0 | 0 | 109.6 | | |
| 409 | L | 35.8 | Very low | 33.8 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -124 | 148 | -163.4 | 179.8 | 68.1 | 0 | 0 | 0 | 112.6 | | |
| 410 | G | 27.2 | Very low | 34 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | -170.6 | 120 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 411 | S | 36.2 | Very low | 34 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -163.8 | 132.5 | -178.7 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 412 | H | 34.5 | Very low | 33.8 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | 176.8 | 138.2 | 132.2 | -107.7 | -133.9 | 0 | 0 | 0 | 114.8 | | |
| 413 | R | 35.9 | Very low | 33.7 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | 13.4 | 147.6 | 145.3 | -56.8 | 179.1 | 178.6 | -90.4 | -1.9 | 121.9 | | |
| 414 | L | 40.5 | Very low | 33.6 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | | -144.5 | 174.2 | 118.9 | -110.3 | 175.2 | 0 | 0 | 0 | 111 | | |
| 415 | D | 36.7 | Very low | 33.4 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -148.4 | 163.8 | -163.3 | -161.7 | -11 | 0 | 0 | 0 | 110.8 | | |
| 416 | G | 29.8 | Very low | 33.4 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 139.2 | 137.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 417 | G | 31.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -140.2 | -178.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 418 | S | 33.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -156.3 | 160.9 | 174.8 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 419 | N | 34.1 | Very low | 32.8 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | trans | -113.1 | 156.6 | -172.5 | -70.2 | -27.2 | 0 | 0 | 0 | 112.9 | | |
| 420 | G | 32.2 | Very low | 32.8 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | 130.1 | 111.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 421 | N | 31.2 | Very low | 33 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | 63.5 | 159 | 145 | -64.8 | 1.9 | 0 | 0 | 0 | 120 | | |
| 422 | S | 32.3 | Very low | 32.8 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | cis | -173.8 | 137 | -29.6 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 423 | L | 33.6 | Very low | 32.8 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | 65.7 | 152.7 | 170.4 | -58.9 | 158 | 0 | 0 | 0 | 115.2 | | |
| 424 | Q | 32.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | cis | -158.1 | 168.2 | -3.8 | -139 | 180 | 15.1 | 0 | 0 | 112 | | |
| 425 | V | 30.7 | Very low | 32.8 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | 69.9 | 99.2 | 158.4 | -176.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 426 | S | 30.2 | Very low | 32.9 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | | 47.1 | 125.3 | 126.6 | -49.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 427 | L | 31.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | 62 | 129.3 | 146 | -58.2 | 165.7 | 0 | 0 | 0 | 117.4 | | |
| 428 | S | 28.8 | Very low | 34.1 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | cis | -160.4 | 164 | 28.8 | -144.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 429 | D | 30.9 | Very low | 34.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | 40.6 | 111.1 | 154.9 | -56.7 | -64.6 | 0 | 0 | 0 | 121.7 | | |
| 430 | K | 35.1 | Very low | 35.1 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | | -172.5 | 147.1 | 122.7 | -100.6 | 144.6 | -165.2 | 161.4 | 0 | 114.5 | | |
| 431 | N | 32.7 | Very low | 36 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | 27.7 | 105.4 | 156.9 | -61.6 | 6.1 | 0 | 0 | 0 | 119.1 | | |
| 432 | N | 31.7 | Very low | 36.4 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | | | trans | -82.8 | 141.6 | 144 | -74.9 | -18.2 | 0 | 0 | 0 | 109.1 | | |
| 433 | Q | 34.6 | Very low | 36.9 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | -106.9 | 150.4 | 172.5 | -173.7 | 164.6 | -4.8 | 0 | 0 | 110.9 | | |
| 434 | E | 40.8 | Very low | 37.3 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | | | trans | -16.9 | 129.1 | 169 | -56.5 | 154.9 | 131.3 | 0 | 0 | 118.1 | | |
| 435 | E | 35.8 | Very low | 37.7 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -146.5 | 161.3 | 132.9 | -164.9 | 122.5 | -132.6 | 0 | 0 | 109.2 | | |
| 436 | S | 37.8 | Very low | 38.4 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | trans | -137.3 | 94.1 | -166.9 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | N438 | S436-N438 PolarHBondContact O-N 3.2Š|
| 437 | D | 42.4 | Very low | 38.7 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -76 | 110.3 | 178.5 | -81.1 | -49.4 | 0 | 0 | 0 | 113 | | |
| 438 | N | 43.3 | Very low | 39 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -90.5 | 97.8 | 166.2 | -77 | -97.1 | 0 | 0 | 0 | 109.2 | S436 | S436-N438 PolarHBondContact O-N 3.2Š|
| 439 | V | 43.6 | Very low | 39.4 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | trans | -129.4 | 103.4 | 172.7 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 440 | A | 45.5 | Very low | 39.5 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -106.6 | 138.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 441 | P | 51.8 | Low | 39.4 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | | -148.5 | 167 | 76.3 | 40.2 | -24.2 | 0 | 0 | 0 | 115.5 | | |
| 442 | L | 38.7 | Very low | 39.5 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -177.9 | 125.3 | 130.3 | -102.1 | 155.5 | 0 | 0 | 0 | 111.6 | L444 | L442-L444 HydrophobicContact CD2-CD1 4.32Å; L442-L444 HydrophobicContact CD2-CG 4.45Å |
| 443 | N | 43.9 | Very low | 39.6 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | -119.7 | 99.9 | 169.9 | -92.8 | -62.6 | 0 | 0 | 0 | 108.9 | | |
| 444 | L | 40.2 | Very low | 39.4 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -154.1 | 143.6 | 168.6 | -70 | -180 | 0 | 0 | 0 | 107.8 | L442 | L442-L444 HydrophobicContact CD2-CD1 4.32Å; L442-L444 HydrophobicContact CD2-CG 4.45Å |
| 445 | S | 41.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | cis | -157.8 | 160.7 | -14.8 | 57 | 0 | 0 | 0 | 0 | 108.7 | | |
| 446 | K | 44.2 | Very low | 38.6 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 144.4 | 168.7 | -62.7 | -177.4 | -179.6 | -176.6 | 0 | 110 | | |
| 447 | R | 37.4 | Very low | 38.3 | Very low | 211 Ų | 211 | 148.5 Ų | 148.5 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | -150.7 | 89.9 | 161.4 | -169.3 | 172.1 | -175.4 | 145.3 | 2.2 | 111.8 | | |
| 448 | D | 37 | Very low | 37.7 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -76.1 | 137.1 | 166.1 | -46.7 | -82.8 | 0 | 0 | 0 | 109.9 | | |
| 449 | Q | 38.6 | Very low | 37 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -140.5 | 129.2 | 154.1 | -73.9 | -160.7 | -58.4 | 0 | 0 | 109.5 | | |
| 450 | N | 32 | Very low | 36.4 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -94.9 | -175.9 | 179.3 | -72.9 | -42.3 | 0 | 0 | 0 | 111.4 | | |
| 451 | H | 34.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | | | trans | 86.4 | 93.3 | 168.2 | -71.9 | -82 | 0 | 0 | 0 | 118.7 | | |
| 452 | E | 34.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | | 62.8 | 122.5 | 110.6 | -69.2 | 179.2 | 151.6 | 0 | 0 | 121.2 | | |
| 453 | E | 32.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | 5.4 | 130.8 | 132.7 | -35.7 | -179 | 154.2 | 0 | 0 | 117 | | |
| 454 | K | 30.5 | Very low | 34.2 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | | -161.4 | 166.4 | 73.2 | -114.1 | 121.8 | -166 | 142.8 | 0 | 115.7 | | |
| 455 | S | 30.4 | Very low | 34.2 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | trans | -62.1 | -177.5 | -173.4 | 51.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 456 | Q | 30.9 | Very low | 34.1 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 78.9 | 147.4 | 170.4 | -50.6 | -177.9 | 19.7 | 0 | 0 | 115.3 | | |
| 457 | Q | 29.8 | Very low | 34.2 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | cis | 174.2 | 159.1 | -33.9 | -116.3 | -167.1 | 6 | 0 | 0 | 104.9 | | |
| 458 | R | 30.1 | Very low | 34.3 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 74.9 | 101.4 | 154.4 | -83.6 | -171.4 | 169.1 | -168.2 | -3.5 | 122.5 | | |
| 459 | T | 29.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | | 64.6 | 118.8 | 118.6 | 58.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 460 | K | 31.1 | Very low | 34.8 | Very low | 217 Ų | 217 | 142.6 Ų | 142.6 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | | | | -175.3 | 151.8 | 121.1 | -98.8 | 164.8 | -179.5 | -179.2 | 0 | 108.5 | | |
| 461 | G | 29.7 | Very low | 35.6 | Very low | 64 Ų | 64 | 144.6 Ų | 144.6 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | cis | 155.1 | 149.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 462 | C | 33.9 | Very low | 36.7 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | 71.6 | 152.8 | 175 | -62.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 463 | D | 31.9 | Very low | 38.1 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | cis | -146.9 | 178.5 | 2.4 | -131.9 | -39.7 | 0 | 0 | 0 | 115.7 | | |
| 464 | S | 38.7 | Very low | 38.6 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 56% | 0.559 | 79% | 0.791 | S | S | * | * | | | trans | -53.5 | 145.3 | -175.9 | -175.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 465 | D | 39.2 | Very low | 39.4 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | | -168.8 | 166.7 | 107 | -99 | -9.4 | 0 | 0 | 0 | 116.3 | | |
| 466 | N | 38.8 | Very low | 40 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -88.7 | 154 | -157.7 | -64.2 | -91.8 | 0 | 0 | 0 | 114.9 | | |
| 467 | V | 46.3 | Very low | 40.7 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | | -177.5 | 151.5 | 118.7 | 147.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 468 | N | 39.5 | Very low | 41.1 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -67.7 | 142.3 | -171.2 | -55.1 | -24.5 | 0 | 0 | 0 | 114.6 | | |
| 469 | G | 42 | Very low | 41.6 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -174.4 | 104 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 470 | T | 44.9 | Very low | 42 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | | | trans | -92.3 | 103.9 | -179.5 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 471 | E | 48.7 | Very low | 42 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -139.4 | 125.1 | 168.4 | -165.5 | 163.4 | -151.5 | 0 | 0 | 109.9 | | |
| 472 | L | 58 | Low | 42.2 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -105.4 | 138 | -176.4 | -81.9 | 165.6 | 0 | 0 | 0 | 110.4 | | |
| 473 | P | 64.1 | Low | 42.3 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | | | trans | -73.7 | 137.3 | -175.5 | 29 | -34.7 | 0 | 0 | 0 | 113.3 | N475 | P473-N475 PolarHBondContact O-N 3Å; P473-N475 PolarHBondContact O-ND2 3.46Å |
| 474 | L | 42.2 | Very low | 42.6 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -63.6 | 120 | 178.1 | -77.4 | 147.1 | 0 | 0 | 0 | 112.3 | | |
| 475 | N | 48.3 | Very low | 42.9 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | | | trans | -98.6 | 108.4 | 167.7 | -80.1 | -94.4 | 0 | 0 | 0 | 109.7 | P473 S477 | P473-N475 PolarHBondContact O-N 3Å; P473-N475 PolarHBondContact O-ND2 3.46Å; N475-S477 PolarHBondContact O-N 2.98Å |
| 476 | L | 43.1 | Very low | 42.7 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -92.8 | 70.4 | -179.1 | -73 | 172.2 | 0 | 0 | 0 | 112.2 | L478 | L476-L478 PolarHBondContact O-N 3.01Š|
| 477 | S | 46.1 | Very low | 42.4 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | trans | -90.7 | 90.4 | 173 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | N475 R479 | N475-S477 PolarHBondContact O-N 2.98Å; S477-R479 PolarHBondContact O-N 3.2Å |
| 478 | L | 38 | Very low | 41.8 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | | | trans | -73.4 | 89 | 175.6 | -67 | 176.5 | 0 | 0 | 0 | 111.8 | L476 | L476-L478 PolarHBondContact O-N 3.01Š|
| 479 | R | 40.8 | Very low | 41.3 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 135.5 | 152.9 | -78.7 | -171.1 | 173.7 | -169.8 | -1.5 | 109 | S477 | S477-R479 PolarHBondContact O-N 3.2Š|
| 480 | A | 35.9 | Very low | 40.8 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 481 | S | 32.6 | Very low | 40.8 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 125.4 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 111 | | |
| 482 | H | 33.8 | Very low | 40 | Very low | 193 Ų | 193 | 138 Ų | 138 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 125.9 | 160.4 | -66.3 | -99.1 | 0 | 0 | 0 | 108.7 | | |
| 483 | S | 35.3 | Very low | 39.3 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -110 | 122.1 | 176.2 | 57.1 | 0 | 0 | 0 | 0 | 111 | | |
| 484 | S | 37.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -77.1 | 173.1 | 167.3 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 485 | P | 46.4 | Very low | 37.3 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | | -134.9 | 165 | 117.6 | 37.9 | -29.3 | 0 | 0 | 0 | 114.3 | | |
| 486 | T | 34.6 | Very low | 36.6 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 64% | 0.638 | 80% | 0.8 | S | S | * | * | | | trans | -96.9 | 147.8 | -168.9 | -39.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 487 | Y | 32.3 | Very low | 36.2 | Very low | 225 Ų | 225 | 135.9 Ų | 135.9 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -145 | 157.7 | 143.3 | -95.6 | -72.5 | 0 | 0 | 0 | 110.2 | | |
| 488 | S | 33.5 | Very low | 36 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -133.1 | 143.6 | -168.8 | -53.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 489 | S | 29.3 | Very low | 36 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -149.9 | 158.6 | 158.7 | 51 | 0 | 0 | 0 | 0 | 109.4 | | |
| 490 | A | 31.2 | Very low | 35.6 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -147.4 | -172 | -171.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 491 | P | 45.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | -125.8 | 168.3 | -21.5 | 38.8 | -25.6 | 0 | 0 | 0 | 112.8 | | |
| 492 | S | 30.9 | Very low | 35.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -164.2 | 141.5 | 156.3 | -97.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 493 | P | 44.5 | Very low | 36.2 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -102.2 | 148 | 170 | 37.1 | -30.5 | 0 | 0 | 0 | 112.7 | | |
| 494 | S | 30.6 | Very low | 36.4 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -178.4 | 158.4 | 132.5 | -143.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 495 | E | 33.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 49.5 | 106.1 | 148.1 | -74.5 | 149.8 | 134.6 | 0 | 0 | 122.1 | | |
| 496 | D | 32.2 | Very low | 36.8 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | | 73.2 | 121.1 | 113.7 | -72.5 | 15.2 | 0 | 0 | 0 | 124.9 | | |
| 497 | L | 35.9 | Very low | 37.5 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | 83.6 | 146.6 | 144.7 | -65.5 | 169.6 | 0 | 0 | 0 | 120.7 | | |
| 498 | P | 42.5 | Very low | 38.4 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | trans | -109.8 | 164.5 | -171.4 | 41.9 | -34.4 | 0 | 0 | 0 | 114.3 | | |
| 499 | P | 38.2 | Very low | 39.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -94.4 | 149.2 | 150 | 34.8 | -28.7 | 0 | 0 | 0 | 111.7 | | |
| 500 | T | 31.3 | Very low | 40.5 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | -104.9 | 159.9 | -179.1 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 501 | L | 38.1 | Very low | 41.8 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | 65.6 | 124.2 | 159.7 | -67.6 | 158.6 | 0 | 0 | 0 | 117.1 | | |
| 502 | D | 34.8 | Very low | 42.7 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | | | | -134.1 | 152.7 | 122.9 | -113.8 | -42.5 | 0 | 0 | 0 | 107.9 | | |
| 503 | E | 41.7 | Very low | 44.1 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | -121.6 | 99.7 | -165.8 | -165.5 | 170.9 | 148.5 | 0 | 0 | 109.7 | L505 | E503-L505 PolarHBondContact O-N 3.22Š|
| 504 | D | 40.1 | Very low | 45.5 | Very low | 180 Ų | 180 | 143 Ų | 143 | 96% | 0.963 | 75% | 0.753 | S | S | * | * | | | trans | -61.8 | 94.7 | -176.7 | -85.4 | -41.3 | 0 | 0 | 0 | 111.8 | | |
| 505 | L | 46.3 | Very low | 48 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -94.5 | 112.8 | 166.7 | -76.4 | 172.8 | 0 | 0 | 0 | 110.1 | E503 E507 | E503-L505 PolarHBondContact O-N 3.22Å; L505-E507 PolarHBondContact O-N 3.2Å |
| 506 | D | 45.3 | Very low | 50.5 | Low | 164 Ų | 164 | 137.4 Ų | 137.4 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | | | trans | -59.2 | 109.4 | -178.9 | -166.7 | 20.9 | 0 | 0 | 0 | 111.6 | E508 | D506-E508 PolarHBondContact O-N 3.23Š|
| 507 | E | 49.8 | Very low | 53.1 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -78.7 | 90 | -173.2 | -164.8 | -177.3 | 179.8 | 0 | 0 | 111.2 | L505 | L505-E507 PolarHBondContact O-N 3.2Š|
| 508 | E | 50.9 | Low | 55.7 | Low | 156 Ų | 156 | 130.7 Ų | 130.7 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | | | trans | -57.6 | 123.8 | -177.2 | -168.9 | -178 | 171 | 0 | 0 | 111.8 | D506 C510 | D506-E508 PolarHBondContact O-N 3.23Å; E508-C510 PolarHBondContact O-N 3.11Å |
| 509 | P | 55.8 | Low | 58.1 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 22.5 | -165.4 | 30.1 | -37.8 | 0 | 0 | 0 | 115.6 | | |
| 510 | C | 50.4 | Low | 60.6 | Low | 82 Ų | 82 | 127.7 Ų | 127.7 | 55% | 0.554 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -34.3 | -177.8 | -160.2 | 0 | 0 | 0 | 0 | 112.8 | E508 | E508-C510 PolarHBondContact O-N 3.11Š|
| 511 | D | 58.8 | Low | 63.3 | Low | 94 Ų | 94 | 126.1 Ų | 126.1 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | -18.6 | -166 | -82.4 | -12.2 | 0 | 0 | 0 | 115.8 | R513 Q514 T515 | D511-R513 PolarHBondContact O-N 3.06Å; D511-Q514 WeakPolarHBondContact O-CA 3.47Å; D511-Q514 WeakPolarHBondContact O-CB 3.19Å; D511-Q514 PolarHBondContact O-N 3.21Å; D511-Q514 PolarHBondContact OD1-NE2 3.07Å; D511-T515 PolarHBondContact O-N 3.4Å; D511-T515 PolarHBondContact O-OG1 3.06Å |
| 512 | Q | 64.5 | Low | 65.7 | Low | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -57.2 | -29.2 | 179.7 | -164.9 | 178.9 | 60.3 | 0 | 0 | 112.8 | A516 | Q512-A516 WeakPolarHBondContact O-CB 3.41Å; Q512-A516 PolarHBondContact O-N 3.06Å; Q512-A516 VanDerWaalsContact O-N 3.12Å |
| 513 | R | 60.7 | Low | 68.2 | Low | 220 Ų | 220 | 123.1 Ų | 123.1 | 83% | 0.83 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.2 | -30.9 | 174.4 | -67.6 | -179.4 | -179 | -98.8 | -1.2 | 113.1 | D511 A517 | D511-R513 PolarHBondContact O-N 3.06Å; R513-A517 PolarHBondContact O-N 3.43Å |
| 514 | Q | 74.9 | Confident | 70.1 | Confident | 120 Ų | 120 | 118.9 Ų | 118.9 | 56% | 0.561 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.3 | -45.5 | 175.3 | -51.4 | -155.1 | 68.4 | 0 | 0 | 110.2 | D511 A516 A517 L518 | D511-Q514 WeakPolarHBondContact O-CA 3.47Å; D511-Q514 WeakPolarHBondContact O-CB 3.19Å; D511-Q514 PolarHBondContact O-N 3.21Å; D511-Q514 PolarHBondContact OD1-NE2 3.07Å; Q514-A516 VanDerWaalsContact C-N 3.34Å; Q514-A516 PolarHBondContact O-N 3.3Å; Q514-A517 WeakPolarHBondContact O-CB 3.34Å; Q514-A517 PolarHBondContact O-N 3.04Å; Q514-A517 VanDerWaalsContact O-N 3.1Å; Q514-L518 PolarHBondContact O-N 3.43Å |
| 515 | T | 82.3 | Confident | 72 | Confident | 88 Ų | 88 | 114.8 Ų | 114.8 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.4 | -43.3 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | D511 A517 L518 A519 | D511-T515 PolarHBondContact O-N 3.4Å; D511-T515 PolarHBondContact O-OG1 3.06Å; T515-A517 VanDerWaalsContact C-N 3.35Å; T515-A517 PolarHBondContact O-N 3.22Å; T515-L518 PolarHBondContact O-N 2.92Å; T515-A519 WeakPolarHBondContact O-CB 3.13Å; T515-A519 PolarHBondContact O-N 3.49Å |
| 516 | A | 86.8 | Confident | 73.3 | Confident | 53 Ų | 53 | 110.5 Ų | 110.5 | 44% | 0.438 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.8 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q512 Q514 L520 | Q512-A516 WeakPolarHBondContact O-CB 3.41Å; Q512-A516 PolarHBondContact O-N 3.06Å; Q512-A516 VanDerWaalsContact O-N 3.12Å; Q514-A516 VanDerWaalsContact C-N 3.34Å; Q514-A516 PolarHBondContact O-N 3.3Å; A516-L520 WeakPolarHBondContact O-CG 3.27Å; A516-L520 PolarHBondContact O-N 3.4Å; A516-L520 VanDerWaalsContact O-N 3.15Å |
| 517 | A | 87.2 | Confident | 74.3 | Confident | 53 Ų | 53 | 106.1 Ų | 106.1 | 44% | 0.438 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R513 Q514 T515 L520 C521 | R513-A517 PolarHBondContact O-N 3.43Å; Q514-A517 WeakPolarHBondContact O-CB 3.34Å; Q514-A517 PolarHBondContact O-N 3.04Å; Q514-A517 VanDerWaalsContact O-N 3.1Å; T515-A517 VanDerWaalsContact C-N 3.35Å; T515-A517 PolarHBondContact O-N 3.22Å; A517-L520 PolarHBondContact O-N 3.25Å; A517-C521 PolarHBondContact O-N 3.16Å; A517-C521 PolarHBondContact O-SG 3.39Å |
| 518 | L | 90.3 | Very high | 74.8 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 176.1 | -72.8 | 168.3 | 0 | 0 | 0 | 111.9 | Q514 T515 L520 C521 Q522 | Q514-L518 PolarHBondContact O-N 3.43Å; T515-L518 PolarHBondContact O-N 2.92Å; L518-L520 PolarHBondContact O-N 3.08Å; L518-C521 WeakPolarHBondContact O-CB 3.38Å; L518-C521 PolarHBondContact O-N 3.38Å; L518-Q522 WeakPolarHBondContact O-CG 3.48Å; L518-Q522 PolarHBondContact O-N 3.13Å |
| 519 | A | 91.9 | Very high | 75.1 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.6 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T515 C521 Q522 L523 | T515-A519 WeakPolarHBondContact O-CB 3.13Å; T515-A519 PolarHBondContact O-N 3.49Å; A519-C521 VanDerWaalsContact C-N 3.35Å; A519-C521 PolarHBondContact O-N 3.02Å; A519-Q522 PolarHBondContact O-N 3.24Å; A519-L523 WeakPolarHBondContact O-CG 3.32Å; A519-L523 PolarHBondContact O-N 3.32Å |
| 520 | L | 90.7 | Very high | 75.1 | Confident | 122 Ų | 122 | 97.7 Ų | 97.7 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64 | -37.5 | 175.4 | -73.4 | 170.5 | 0 | 0 | 0 | 112.6 | A516 A517 L518 A524 | A516-L520 WeakPolarHBondContact O-CG 3.27Å; A516-L520 PolarHBondContact O-N 3.4Å; A516-L520 VanDerWaalsContact O-N 3.15Å; A517-L520 PolarHBondContact O-N 3.25Å; L518-L520 PolarHBondContact O-N 3.08Å; L520-A524 WeakPolarHBondContact O-CB 3.45Å; L520-A524 PolarHBondContact O-N 3.31Å |
| 521 | C | 87.3 | Confident | 75.1 | Confident | 84 Ų | 84 | 99 Ų | 99 | 57% | 0.568 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 173.2 | -74.9 | 0 | 0 | 0 | 0 | 112.5 | A517 L518 A519 A524 T525 | A517-C521 PolarHBondContact O-N 3.16Å; A517-C521 PolarHBondContact O-SG 3.39Å; L518-C521 WeakPolarHBondContact O-CB 3.38Å; L518-C521 PolarHBondContact O-N 3.38Å; A519-C521 VanDerWaalsContact C-N 3.35Å; A519-C521 PolarHBondContact O-N 3.02Å; C521-A524 PolarHBondContact O-N 3.02Å; C521-T525 PolarHBondContact O-N 3.29Å; C521-T525 VanDerWaalsContact O-N 3.1Å; C521-T525 PolarHBondContact O-OG1 2.93Å |
| 522 | Q | 89.9 | Confident | 74.6 | Confident | 133 Ų | 133 | 99.4 Ų | 99.4 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -39.4 | 176.6 | -71 | 173.5 | -6.5 | 0 | 0 | 112.6 | L518 A519 T525 A526 | L518-Q522 WeakPolarHBondContact O-CG 3.48Å; L518-Q522 PolarHBondContact O-N 3.13Å; A519-Q522 PolarHBondContact O-N 3.24Å; Q522-T525 PolarHBondContact O-N 3.19Å; Q522-T525 PolarHBondContact O-OG1 3.28Å; Q522-A526 WeakPolarHBondContact O-CB 3.2Å; Q522-A526 PolarHBondContact O-N 3.18Å |
| 523 | L | 87.6 | Confident | 73.5 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -38.7 | 174.2 | -70.9 | 169.5 | 0 | 0 | 0 | 111.9 | A519 A526 S527 | A519-L523 WeakPolarHBondContact O-CG 3.32Å; A519-L523 PolarHBondContact O-N 3.32Å; L523-A526 PolarHBondContact O-N 3.12Å; L523-S527 PolarHBondContact O-N 3.28Å; L523-S527 PolarHBondContact O-OG 3.1Å |
| 524 | A | 81.5 | Confident | 72.7 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L520 C521 S527 S528 | L520-A524 WeakPolarHBondContact O-CB 3.45Å; L520-A524 PolarHBondContact O-N 3.31Å; C521-A524 PolarHBondContact O-N 3.02Å; A524-S527 PolarHBondContact O-OG 3.08Å; A524-S528 PolarHBondContact O-N 2.88Å |
| 525 | T | 80 | Confident | 71.1 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -40.4 | 175.6 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | C521 Q522 S527 S528 V529 | C521-T525 PolarHBondContact O-N 3.29Å; C521-T525 VanDerWaalsContact O-N 3.1Å; C521-T525 PolarHBondContact O-OG1 2.93Å; Q522-T525 PolarHBondContact O-N 3.19Å; Q522-T525 PolarHBondContact O-OG1 3.28Å; T525-S527 PolarHBondContact O-N 3.1Å; T525-S528 WeakPolarHBondContact O-CB 3.37Å; T525-S528 PolarHBondContact O-N 3.44Å; T525-V529 PolarHBondContact O-N 3.46Å |
| 526 | A | 71.9 | Confident | 69 | Low | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.8 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q522 L523 S528 V529 A530 | Q522-A526 WeakPolarHBondContact O-CB 3.2Å; Q522-A526 PolarHBondContact O-N 3.18Å; L523-A526 PolarHBondContact O-N 3.12Å; A526-S528 VanDerWaalsContact C-N 3.31Å; A526-S528 PolarHBondContact O-N 3.03Å; A526-V529 PolarHBondContact O-N 3.18Å; A526-A530 PolarHBondContact O-N 3.15Å |
| 527 | S | 67.4 | Low | 66.8 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.1 | -33 | 176.6 | 62 | 0 | 0 | 0 | 0 | 113.4 | L523 A524 T525 V529 A530 S531 | L523-S527 PolarHBondContact O-N 3.28Å; L523-S527 PolarHBondContact O-OG 3.1Å; A524-S527 PolarHBondContact O-OG 3.08Å; T525-S527 PolarHBondContact O-N 3.1Å; S527-V529 VanDerWaalsContact C-N 3.35Å; S527-A530 PolarHBondContact O-N 3.44Å; S527-S531 WeakPolarHBondContact O-CB 3.35Å; S527-S531 PolarHBondContact O-N 3.4Å |
| 528 | S | 60.3 | Low | 64.2 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64 | -38.5 | 174.7 | -165.4 | 0 | 0 | 0 | 0 | 112.2 | A524 T525 A526 | A524-S528 PolarHBondContact O-N 2.88Å; T525-S528 WeakPolarHBondContact O-CB 3.37Å; T525-S528 PolarHBondContact O-N 3.44Å; A526-S528 VanDerWaalsContact C-N 3.31Å; A526-S528 PolarHBondContact O-N 3.03Å |
| 529 | V | 57.4 | Low | 61.6 | Low | 116 Ų | 116 | 108 Ų | 108 | 70% | 0.703 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.8 | -44.8 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | T525 A526 S527 S531 S532 | T525-V529 PolarHBondContact O-N 3.46Å; A526-V529 PolarHBondContact O-N 3.18Å; S527-V529 VanDerWaalsContact C-N 3.35Å; V529-S531 VanDerWaalsContact C-N 3.26Å; V529-S531 PolarHBondContact O-N 3.36Å; V529-S532 PolarHBondContact O-N 3.18Å |
| 530 | A | 55.7 | Low | 58.8 | Low | 81 Ų | 81 | 114.3 Ų | 114.3 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.1 | -31.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A526 S527 S532 | A526-A530 PolarHBondContact O-N 3.15Å; S527-A530 PolarHBondContact O-N 3.44Å; A530-S532 PolarHBondContact O-N 3.04Å |
| 531 | S | 49.8 | Very low | 56.3 | Low | 110 Ų | 110 | 114.2 Ų | 114.2 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -0.4 | -179.9 | -169 | 0 | 0 | 0 | 0 | 114.9 | S527 V529 | S527-S531 WeakPolarHBondContact O-CB 3.35Å; S527-S531 PolarHBondContact O-N 3.4Å; V529-S531 VanDerWaalsContact C-N 3.26Å; V529-S531 PolarHBondContact O-N 3.36Å |
| 532 | S | 47.5 | Very low | 53.6 | Low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 8.2 | -177.8 | -167.1 | 0 | 0 | 0 | 0 | 114.5 | V529 A530 D534 | V529-S532 PolarHBondContact O-N 3.18Å; A530-S532 PolarHBondContact O-N 3.04Å; S532-D534 PolarHBondContact O-N 3.12Å |
| 533 | G | 42.7 | Very low | 51.1 | Low | 48 Ų | 48 | 118.5 Ų | 118.5 | 50% | 0.495 | 69% | 0.692 | S | S | . | * | | | trans | -87.1 | 84 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F535 | G533-F535 PolarHBondContact O-N 3.41Š|
| 534 | D | 43.1 | Very low | 48.3 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 83% | 0.829 | 70% | 0.702 | S | S | * | * | | | trans | -78.4 | 107.5 | 172.1 | -174 | 12.4 | 0 | 0 | 0 | 111 | S532 | S532-D534 PolarHBondContact O-N 3.12Š|
| 535 | F | 40.8 | Very low | 45.9 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | | | trans | -119.1 | 86.2 | -176.2 | -77.8 | -72.6 | 0 | 0 | 0 | 112.5 | G533 I537 | G533-F535 PolarHBondContact O-N 3.41Å; F535-I537 VanDerWaalsContact C-N 3.32Å; F535-I537 PolarHBondContact O-N 3.47Å |
| 536 | H | 40.2 | Very low | 43.8 | Very low | 165 Ų | 165 | 126 Ų | 126 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | -71.9 | 80 | 170.5 | -177.2 | -62.2 | 0 | 0 | 0 | 111.5 | | |
| 537 | I | 39.6 | Very low | 41.9 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -81.9 | 124.9 | 172.2 | -62.8 | -178.9 | 0 | 0 | 0 | 110.1 | F535 | F535-I537 VanDerWaalsContact C-N 3.32Å; F535-I537 PolarHBondContact O-N 3.47Å |
| 538 | K | 33.2 | Very low | 40.3 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -98.3 | 105.7 | -171.9 | -174.6 | -175.3 | -179.2 | -172.3 | 0 | 110.2 | | |
| 539 | V | 35.4 | Very low | 39 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -73.2 | 134 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 540 | Q | 33.3 | Very low | 37.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -127.8 | 130.4 | 168 | -179.7 | 171.8 | -20.6 | 0 | 0 | 108.1 | | |
| 541 | P | 38.5 | Very low | 37.5 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -85.2 | 149.1 | -174.1 | 33.9 | -35.3 | 0 | 0 | 0 | 112.6 | | |
| 542 | C | 29.7 | Very low | 36.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -157.2 | 108.8 | 162.6 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 543 | E | 36.6 | Very low | 36 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -159 | 133.8 | 165 | -87.6 | -56.8 | 126.6 | 0 | 0 | 105.4 | | |
| 544 | D | 29.9 | Very low | 35.9 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -136.8 | 141.9 | -170.7 | -121.6 | -31.3 | 0 | 0 | 0 | 110.3 | | |
| 545 | S | 31.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 61.7 | 115 | 162.5 | -148.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 546 | M | 35.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | | -167.4 | 169.6 | 67.9 | -88.7 | -163.2 | 71.6 | 0 | 0 | 113.8 | | |
| 547 | D | 31.1 | Very low | 35.3 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -41.4 | 156.9 | 174 | -71.4 | -72.4 | 0 | 0 | 0 | 116.9 | | |
| 548 | S | 34 | Very low | 35.4 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | cis | -169.3 | 168.5 | 46.8 | 68.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 549 | T | 33.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 78.6 | 118.2 | 149 | -44.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 550 | T | 33.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -106.1 | -173.9 | 168.7 | 52.5 | 0 | 0 | 0 | 0 | 110 | | |
| 551 | P | 49.2 | Very low | 36 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | cis | -117.4 | -165.5 | -7.9 | 44.4 | -29.2 | 0 | 0 | 0 | 110.9 | | |
| 552 | D | 31.1 | Very low | 36 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | cis | -154.2 | -166.3 | 6.4 | -152 | 22.1 | 0 | 0 | 0 | 107.2 | | |
| 553 | S | 35.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | | | cis | -159.7 | 154.1 | 7 | -156.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 554 | L | 39.8 | Very low | 36.5 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | | | trans | 59.3 | 141.8 | 145.6 | -113.7 | 68 | 0 | 0 | 0 | 124.9 | | |
| 555 | K | 38 | Very low | 36.8 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | trans | 75.1 | 105.4 | 155.4 | -72.2 | 163 | -180 | 165.3 | 0 | 117.3 | | |
| 556 | N | 36.8 | Very low | 37 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | cis | 99.9 | 96.9 | 36.2 | -73.8 | -24.7 | 0 | 0 | 0 | 113.9 | | |
| 557 | T | 36.9 | Very low | 36.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | | | trans | 172.9 | 118.3 | 135.9 | 23.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 558 | K | 41 | Very low | 37.2 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | cis | 53 | 123.6 | 40.5 | -93.4 | -176.2 | 179 | 173 | 0 | 111.9 | | |
| 559 | S | 38.5 | Very low | 37.5 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | cis | -171.8 | 139.8 | 15.9 | 51.9 | 0 | 0 | 0 | 0 | 115 | | |
| 560 | T | 38.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | trans | 63.2 | 156.8 | 133.9 | 62 | 0 | 0 | 0 | 0 | 120.5 | | |
| 561 | K | 37.3 | Very low | 37.7 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 73% | 0.726 | 76% | 0.757 | S | S | * | * | | | cis | -169.7 | 150.4 | -9.3 | -111.6 | 166 | -174.8 | 172.8 | 0 | 109.3 | | |
| 562 | R | 40.1 | Very low | 37 | Very low | 231 Ų | 231 | 148 Ų | 148 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 65.5 | 158.3 | 143 | -73 | -171.6 | 168 | -169.3 | -5.3 | 119.1 | | |
| 563 | A | 35.9 | Very low | 37.1 | Very low | 79 Ų | 79 | 148.3 Ų | 148.3 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | cis | -170.8 | -178.9 | -20.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 564 | K | 40.8 | Very low | 37 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | 88.2 | 119.7 | 170.9 | -55.7 | -155.4 | 167 | -173 | 0 | 114 | | |
| 565 | E | 35.9 | Very low | 36.8 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | | 66.7 | 135.1 | 58.8 | -62.1 | 169.5 | 139.3 | 0 | 0 | 111.7 | | |
| 566 | S | 34.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | cis | -165.2 | 179.8 | -12.2 | 60.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 567 | G | 33.5 | Very low | 36.6 | Very low | 71 Ų | 71 | 149.9 Ų | 149.9 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | 153.8 | 133.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 568 | L | 38.3 | Very low | 36.6 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -100.7 | 144.8 | -172.9 | -83.2 | 72.7 | 0 | 0 | 0 | 114 | | |
| 569 | K | 39.1 | Very low | 36.2 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | 70.5 | 152.6 | 136.6 | -75.3 | 177.4 | 177.4 | 173.8 | 0 | 122.1 | | |
| 570 | R | 38 | Very low | 36 | Very low | 244 Ų | 244 | 148.7 Ų | 148.7 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | | | trans | 80 | 157.3 | 160 | -69.4 | 179 | 171.1 | 173.6 | -3.4 | 118.3 | | |
| 571 | R | 33.9 | Very low | 35.8 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | cis | -177.7 | 144 | -42.3 | -156.9 | -159.6 | 157.6 | 159.5 | -0.2 | 107.6 | | |
| 572 | N | 34.5 | Very low | 35.8 | Very low | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | | | trans | 65.1 | 167.4 | 170 | -60.8 | -5.5 | 0 | 0 | 0 | 113.4 | | |
| 573 | N | 32.3 | Very low | 35.7 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | cis | -133.1 | 173.9 | 8.5 | -156.9 | 28.7 | 0 | 0 | 0 | 113.4 | | |
| 574 | S | 33 | Very low | 35.7 | Very low | 84 Ų | 84 | 152 Ų | 152 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | | | trans | -117.9 | -176.1 | -169.7 | 56.8 | 0 | 0 | 0 | 0 | 114 | | |
| 575 | Q | 37 | Very low | 35.8 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | trans | 78.3 | 148.4 | 173.9 | -56 | 180 | -52.5 | 0 | 0 | 115.2 | | |
| 576 | S | 34.3 | Very low | 36.1 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | cis | -142.6 | 156.6 | 8.4 | 46 | 0 | 0 | 0 | 0 | 114.7 | | |
| 577 | E | 34.9 | Very low | 36.1 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | 13.9 | 161.9 | 134.3 | -60.4 | -168.4 | 161.3 | 0 | 0 | 123.1 | | |
| 578 | S | 36.5 | Very low | 36.5 | Very low | 83 Ų | 83 | 161.5 Ų | 161.5 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | | | cis | -177 | -179.5 | -23.4 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 579 | K | 33.5 | Very low | 36.6 | Very low | 198 Ų | 198 | 161 Ų | 161 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | 93.8 | 137.4 | 160.9 | -72.9 | 163.3 | -177.1 | 165.1 | 0 | 119.8 | | |
| 580 | S | 34.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 159.1 Ų | 159.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -115.1 | 157.1 | 174.6 | -6.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 581 | Q | 35 | Very low | 36.8 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | -127.8 | 165.3 | 162.3 | -79.1 | -167.8 | -20.3 | 0 | 0 | 111.2 | | |
| 582 | K | 36.2 | Very low | 37.4 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -127 | 163.7 | -167.4 | -80.4 | -177.1 | 174.2 | 177.4 | 0 | 111.4 | | |
| 583 | L | 39.6 | Very low | 37.6 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | 69.8 | 125.7 | 152.9 | -72.5 | 152.4 | 0 | 0 | 0 | 118.7 | | |
| 584 | S | 35 | Very low | 38.2 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | | -154.2 | 156.2 | 106.8 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 585 | K | 43.2 | Very low | 39.1 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | | | trans | -96.8 | 148.7 | 166.7 | -63.2 | 175.3 | 179.2 | 176.9 | 0 | 108.1 | | |
| 586 | K | 41.4 | Very low | 39.5 | Very low | 214 Ų | 214 | 160 Ų | 160 | 93% | 0.93 | 84% | 0.836 | S | S | * | * | | | trans | -151.5 | 166.7 | 157.7 | -121.1 | 174 | -175.7 | 179.9 | 0 | 112.1 | | |
| 587 | T | 35.4 | Very low | 40.1 | Very low | 126 Ų | 126 | 166.5 Ų | 166.5 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | | | trans | -125.5 | 139.2 | -149.4 | -27.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 588 | K | 40.7 | Very low | 40.6 | Very low | 202 Ų | 202 | 164.8 Ų | 164.8 | 88% | 0.878 | 85% | 0.846 | S | S | * | * | | | trans | 23.3 | 110.6 | 147.5 | -170.3 | -179.2 | -177.2 | -179.2 | 0 | 118 | | |
| 589 | T | 41.7 | Very low | 41.3 | Very low | 136 Ų | 136 | 172.6 Ų | 172.6 | 83% | 0.834 | 86% | 0.863 | S | S | * | * | | | trans | -133.8 | 165.6 | 155.8 | 33.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 590 | T | 43.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 172.3 Ų | 172.3 | 88% | 0.883 | 89% | 0.886 | S | S | * | * | | | trans | -60.1 | 152.3 | -173.1 | 32.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 591 | G | 37.5 | Very low | 42.8 | Very low | 72 Ų | 72 | 175.1 Ų | 175.1 | 74% | 0.742 | 89% | 0.889 | S | S | * | * | | | trans | -101.3 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 592 | P | 45.3 | Very low | 43.2 | Very low | 132 Ų | 132 | 173.8 Ų | 173.8 | 86% | 0.857 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 152.1 | -176.1 | 36.8 | -34 | 0 | 0 | 0 | 114.4 | | |
| 593 | T | 39.8 | Very low | 43.6 | Very low | 142 Ų | 142 | 172.8 Ų | 172.8 | 87% | 0.871 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 143.5 | -173.5 | -32.7 | 0 | 0 | 0 | 0 | 114.1 | R595 | T593-R595 PolarHBondContact O-N 3.44Š|
| 594 | L | 44.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 174.1 Ų | 174.1 | 91% | 0.906 | 90% | 0.895 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.2 | 173.3 | -74.9 | 167.2 | 0 | 0 | 0 | 112 | | |
| 595 | R | 51.7 | Low | 44.3 | Very low | 241 Ų | 241 | 177.6 Ų | 177.6 | 91% | 0.909 | 90% | 0.9 | S | S | * | * | | | trans | -91.3 | 105.1 | 177.5 | -153.4 | 173.9 | -168.1 | 174.1 | 3.6 | 110.2 | T593 | T593-R595 PolarHBondContact O-N 3.44Š|
| 596 | R | 46.8 | Very low | 44.4 | Very low | 244 Ų | 244 | 176.6 Ų | 176.6 | 92% | 0.921 | 90% | 0.904 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.6 | 172.1 | -72.7 | -178.1 | 173.6 | -179.5 | -2.6 | 110.2 | | |
| 597 | R | 46.7 | Very low | 44.6 | Very low | 242 Ų | 242 | 173.9 Ų | 173.9 | 91% | 0.913 | 90% | 0.903 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 128.7 | 159.9 | -77.3 | -176 | 173.2 | 175.9 | -2.7 | 108.5 | | |
| 598 | T | 45.3 | Very low | 45.3 | Very low | 141 Ų | 141 | 177.6 Ų | 177.6 | 87% | 0.865 | 91% | 0.913 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.3 | 160.5 | 38.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 599 | R | 49.9 | Very low | 45.7 | Very low | 247 Ų | 247 | 175.6 Ų | 175.6 | 93% | 0.932 | 92% | 0.915 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 138.7 | 159.1 | -72.8 | -175.3 | 176.1 | -175.3 | -1.2 | 107.9 | | |
| 600 | S | 56.5 | Low | 46.1 | Very low | 193 Ų | 193 | 179.2 Ų | 179.2 | 100% | 1.35 | 92% | 0.923 | S | S | * | * | | | trans | -94.4 | 0 | 157.3 | 56 | 0 | 0 | 0 | 0 | 108.2 | | |